# AFLOW CIF FILE
# AFLOW.org Repositories
# ANRL - DUKE UNIVERSITY
# Part 1 (2017) doi: 10.1016/j.commatsci.2017.01.017
# Part 2 (2018) doi: 10.1016/j.commatsci.2018.10.043
# Part 3 (2021) doi: 10.1016/j.commatsci.2021.110450
# Part 4 (2024) doi: 10.1016/j.commatsci.2024.112988
# Chemical Composition:  H11Ir2Mg6

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A13B2C6_mP168_14_26e_4e_12e-001

# Last updated on 2024/08/02

data_H104Ir16Mg48
_pd_phase_name H104Ir16Mg48
_cell_length_a  13.3045050445
_cell_length_b  19.2340000000
_cell_length_c  8.3345000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  129.7810878234
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2_{1}/c'
_symmetry_Int_Tables_Number  14
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y+1/2,-z+1/2
  3  -x,-y,-z
  4  x,-y+1/2,z+1/2
loop_
 _atom_site_label
 _atom_site_occupancy
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_adp_type
 _atom_site_B_iso_or_equiv
 _atom_site_type_symbol
 _atom_site_symmetry_multiplicity
 _atom_site_Wyckoff_label
H10 1.0000000000 0.4400000000 0.9360000000 0.4860000000  Biso 1.0 H 4 e
H1 1.0000000000 0.8820000000 0.6270000000 0.5680000000  Biso 1.0 H 4 e
H11 1.0000000000 0.0880000000 0.9940000000 0.9050000000  Biso 1.0 H 4 e
H12 1.0000000000 0.5840000000 -0.0000000000 0.7800000000  Biso 1.0 H 4 e
H13 1.0000000000 0.8870000000 0.8320000000 0.5070000000  Biso 1.0 H 4 e
H14 1.0000000000 0.4040000000 0.1280000000 0.7260000000  Biso 1.0 H 4 e
H15 1.0000000000 0.4300000000 0.7570000000 0.7830000000  Biso 1.0 H 4 e
H16 1.0000000000 0.8870000000 0.3060000000 0.7620000000  Biso 1.0 H 4 e
H17 1.0000000000 0.3890000000 0.6840000000 0.4830000000  Biso 1.0 H 4 e
H18 1.0000000000 0.8640000000 0.8250000000 0.7400000000  Biso 1.0 H 4 e
H19 1.0000000000 0.3820000000 0.1850000000 0.4460000000  Biso 1.0 H 4 e
H20 1.0000000000 0.0980000000 0.8790000000 0.9210000000  Biso 1.0 H 4 e
H2 1.0000000000 0.3710000000 0.3780000000 0.6990000000  Biso 1.0 H 4 e
H21 1.0000000000 0.6080000000 0.1200000000 0.8010000000  Biso 1.0 H 4 e
H22 1.0000000000 0.7350000000 0.5810000000 0.1650000000  Biso 1.0 H 4 e
H23 1.0000000000 0.7600000000 0.3150000000 0.1430000000  Biso 1.0 H 4 e
H24 1.0000000000 0.7470000000 0.6760000000 0.6720000000  Biso 1.0 H 4 e
H25 1.0000000000 0.7480000000 0.4230000000 0.6890000000  Biso 1.0 H 4 e
H26 1.0000000000 0.7510000000 0.4380000000 0.3130000000  Biso 1.0 H 4 e
H3 1.0000000000 0.8730000000 0.0030000000 0.4820000000  Biso 1.0 H 4 e
H4 1.0000000000 0.3980000000 0.9850000000 0.7640000000  Biso 1.0 H 4 e
H5 1.0000000000 0.9100000000 0.1240000000 0.5650000000  Biso 1.0 H 4 e
H6 1.0000000000 0.3470000000 0.8730000000 0.6570000000  Biso 1.0 H 4 e
H7 1.0000000000 0.9210000000 0.5770000000 0.8680000000  Biso 1.0 H 4 e
H8 1.0000000000 0.4040000000 0.4510000000 0.4780000000  Biso 1.0 H 4 e
H9 1.0000000000 0.9240000000 0.0550000000 0.8500000000  Biso 1.0 H 4 e
Ir27 1.0000000000 0.0010000000 0.9380000000 0.2510000000  Biso 1.0 Ir 4 e
Ir28 1.0000000000 0.4980000000 0.0710000000 0.2480000000  Biso 1.0 Ir 4 e
Ir29 1.0000000000 0.9970000000 0.1880000000 0.2290000000  Biso 1.0 Ir 4 e
Ir30 1.0000000000 0.5030000000 0.8110000000 0.2570000000  Biso 1.0 Ir 4 e
Mg31 1.0000000000 0.7480000000 0.9670000000 0.9550000000  Biso 1.0 Mg 4 e
Mg32 1.0000000000 0.7500000000 0.0650000000 0.5890000000  Biso 1.0 Mg 4 e
Mg33 1.0000000000 0.7470000000 0.2240000000 0.9170000000  Biso 1.0 Mg 4 e
Mg34 1.0000000000 0.7500000000 0.7380000000 0.9590000000  Biso 1.0 Mg 4 e
Mg35 1.0000000000 0.9310000000 0.0590000000 0.3330000000  Biso 1.0 Mg 4 e
Mg36 1.0000000000 0.4290000000 0.9360000000 0.9910000000  Biso 1.0 Mg 4 e
Mg37 1.0000000000 0.0720000000 0.0650000000 0.1420000000  Biso 1.0 Mg 4 e
Mg38 1.0000000000 0.5780000000 0.9500000000 0.4680000000  Biso 1.0 Mg 4 e
Mg39 1.0000000000 0.9290000000 0.1950000000 0.8260000000  Biso 1.0 Mg 4 e
Mg40 1.0000000000 0.4610000000 0.8090000000 0.5550000000  Biso 1.0 Mg 4 e
Mg41 1.0000000000 0.0480000000 0.1850000000 0.6470000000  Biso 1.0 Mg 4 e
Mg42 1.0000000000 0.5610000000 0.8150000000 0.9880000000  Biso 1.0 Mg 4 e
