# 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:  EuIr2P2

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB2C2_hP15_154_a_ab_c-001

# Last updated on 2024/08/01

data_Eu3Ir6P6
_pd_phase_name Eu3Ir6P6
_cell_length_a  6.6710000000
_cell_length_b  6.6710000000
_cell_length_c  7.0550000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  120.0000000000
_symmetry_space_group_name_H-M  'P3_{2}21'
_symmetry_Int_Tables_Number  154
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -y,x-y,z+2/3
  3  -x+y,-x,z+1/3
  4  y,x,-z
  5  x-y,-y,-z+1/3
  6  -x,-x+y,-z+2/3
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
Eu1 1.0000000000 0.6007000000 0.0000000000 0.6666666667  Biso 1.0 Eu 3 a
Ir2 1.0000000000 0.1297000000 0.0000000000 0.6666666667  Biso 1.0 Ir 3 a
Ir3 1.0000000000 0.5183000000 0.0000000000 0.1666666667  Biso 1.0 Ir 3 b
P4 1.0000000000 0.2224000000 0.8833000000 0.9590966667  Biso 1.0 P 6 c
