# 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:  MgNiSn

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A7B7C2_tP32_101_ade_bde_d-001

# Last updated on 2024/08/01

data_Mg14Ni14Sn4
_pd_phase_name Mg14Ni14Sn4
_cell_length_a  9.8510000000
_cell_length_b  9.8510000000
_cell_length_c  6.8680000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P4_{2}cm'
_symmetry_Int_Tables_Number  101
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,z
  3  -y,x,z+1/2
  4  y,-x,z+1/2
  5  x,-y,z+1/2
  6  -x,y,z+1/2
  7  -y,-x,z
  8  y,x,z
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
Mg1 1.0000000000 0.0000000000 0.0000000000 0.0730000000  Biso 1.0 Mg 2 a
Ni4 1.0000000000 0.5000000000 0.5000000000 0.1038000000  Biso 1.0 Ni 2 b
Mg2 1.0000000000 0.2254000000 0.2254000000 0.7328000000  Biso 1.0 Mg 4 d
Ni5 1.0000000000 0.3092600000 0.3092600000 0.0644000000  Biso 1.0 Ni 4 d
Sn7 1.0000000000 0.1713600000 0.1713600000 0.3335500000  Biso 1.0 Sn 4 d
Mg3 1.0000000000 0.2384000000 0.4756000000 0.3471000000  Biso 1.0 Mg 8 e
Ni6 1.0000000000 0.0352000000 0.3449000000 0.0449000000  Biso 1.0 Ni 8 e
