# 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:  Ge4Ir

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A4B_hP15_144_4a_a-001

# Last updated on 2024/08/01

data_Ge12Ir3
_pd_phase_name Ge12Ir3
_cell_length_a  6.2150000000
_cell_length_b  6.2150000000
_cell_length_c  7.7840000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  120.0000000000
_symmetry_space_group_name_H-M  'P3_{1}'
_symmetry_Int_Tables_Number  144
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -y,x-y,z+1/3
  3  -x+y,-x,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
Ge1 1.0000000000 0.4904000000 0.2194000000 0.2268000000  Biso 1.0 Ge 3 a
Ge2 1.0000000000 0.2226000000 0.4873000000 0.1142000000  Biso 1.0 Ge 3 a
Ge3 1.0000000000 0.0775000000 0.0012000000 0.0000000000  Biso 1.0 Ge 3 a
Ge4 1.0000000000 0.6097000000 0.0014000000 0.0018000000  Biso 1.0 Ge 3 a
Ir5 1.0000000000 0.3178000000 0.0008000000 0.5062000000  Biso 1.0 Ir 3 a
