# 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:  As2BaGe2

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A2BC2_tP20_105_f_bc_2d-001

# Last updated on 2024/08/01

data_As8Ba4Ge8
_pd_phase_name As8Ba4Ge8
_cell_length_a  7.7860000000
_cell_length_b  7.7860000000
_cell_length_c  8.6640000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P4_{2}mc'
_symmetry_Int_Tables_Number  105
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
  6  -x,y,z
  7  -y,-x,z+1/2
  8  y,x,z+1/2
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
Ba2 1.0000000000 0.5000000000 0.5000000000 0.0000000000  Biso 1.0 Ba 2 b
Ba3 1.0000000000 -0.0000000000 0.5000000000 0.0241000000  Biso 1.0 Ba 2 c
Ge4 1.0000000000 0.8351000000 0.0000000000 0.8640000000  Biso 1.0 Ge 4 d
Ge5 1.0000000000 0.6632000000 0.0000000000 0.1068000000  Biso 1.0 Ge 4 d
As1 1.0000000000 0.7290000000 0.7453000000 0.2558000000  Biso 1.0 As 8 f
