# 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:  Ge3Ru2

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A3B2_oP40_60_3d_2cd-001

# Last updated on 2024/08/01

data_Ge24Ru16
_pd_phase_name Ge24Ru16
_cell_length_a  11.4360000000
_cell_length_b  9.2380000000
_cell_length_c  5.7160000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Pbcn'
_symmetry_Int_Tables_Number  60
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x+1/2,-y+1/2,z+1/2
  3  -x,y,-z+1/2
  4  x+1/2,-y+1/2,-z
  5  -x,-y,-z
  6  x+1/2,y+1/2,-z+1/2
  7  x,-y,z+1/2
  8  -x+1/2,y+1/2,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
Ru4 1.0000000000 0.0000000000 0.0480000000 0.2500000000  Biso 1.0 Ru 4 c
Ru5 1.0000000000 0.0000000000 0.5720000000 0.2500000000  Biso 1.0 Ru 4 c
Ge1 1.0000000000 0.4260000000 0.2770000000 0.4660000000  Biso 1.0 Ge 8 d
Ge2 1.0000000000 0.3290000000 0.4320000000 0.0880000000  Biso 1.0 Ge 8 d
Ge3 1.0000000000 0.1370000000 0.4010000000 0.3990000000  Biso 1.0 Ge 8 d
Ru6 1.0000000000 0.2480000000 0.1870000000 0.2420000000  Biso 1.0 Ru 8 d
