# 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:  As2Ge

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A2B_oP24_55_2g2h_gh-001

# Last updated on 2024/08/01

data_As16Ge8
_pd_phase_name As16Ge8
_cell_length_a  14.7600000000
_cell_length_b  10.1600000000
_cell_length_c  3.7280000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Pbam'
_symmetry_Int_Tables_Number  55
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,z
  3  -x+1/2,y+1/2,-z
  4  x+1/2,-y+1/2,-z
  5  -x,-y,-z
  6  x,y,-z
  7  x+1/2,-y+1/2,z
  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
As1 1.0000000000 0.2958000000 0.3537000000 0.0000000000  Biso 1.0 As 4 g
As2 1.0000000000 0.0385000000 0.2262000000 0.0000000000  Biso 1.0 As 4 g
Ge5 1.0000000000 0.1381000000 0.4188000000 0.0000000000  Biso 1.0 Ge 4 g
As3 1.0000000000 0.1117000000 0.1011000000 0.5000000000  Biso 1.0 As 4 h
As4 1.0000000000 0.4028000000 0.0631000000 0.5000000000  Biso 1.0 As 4 h
Ge6 1.0000000000 0.2664000000 0.2015000000 0.5000000000  Biso 1.0 Ge 4 h
