# 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
# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A8B2C13_aP23_2_4i_i_a6i-001

# Last updated on 2024/07/03

data_A8B2C13_aP23_2_4i_i_a6i-001
_pd_phase_name A8B2C13_aP23_2_4i_i_a6i-001
_cell_length_a  13.7880000000
_cell_length_b  12.0960000000
_cell_length_c  4.1658000000
_cell_angle_alpha  89.9800000000
_cell_angle_beta  98.6400000000
_cell_angle_gamma  87.9600000000
_symmetry_space_group_name_H-M  'P-1'
_symmetry_Int_Tables_Number  2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,-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
Se1 1.0000000000 0.0000000000 0.0000000000 0.0000000000  Biso 1.0 Se 1 a
Bi2 1.0000000000 0.8809000000 0.8803000000 0.4408000000  Biso 1.0 Bi 2 i
Bi3 1.0000000000 0.3787000000 0.0464000000 0.1887000000  Biso 1.0 Bi 2 i
Bi4 1.0000000000 0.1510000000 0.7940000000 0.0758000000  Biso 1.0 Bi 2 i
Bi5 1.0000000000 0.5628000000 0.3671000000 0.2822000000  Biso 1.0 Bi 2 i
K6 1.0000000000 0.8310000000 0.5510000000 0.4150000000  Biso 1.0 K 2 i
Se7 1.0000000000 0.2625000000 0.9267000000 0.6320000000  Biso 1.0 Se 2 i
Se8 1.0000000000 0.0370000000 0.6977000000 0.5160000000  Biso 1.0 Se 2 i
Se9 1.0000000000 0.7788000000 0.7707000000 0.8870000000  Biso 1.0 Se 2 i
Se10 1.0000000000 0.5094000000 0.8536000000 0.2540000000  Biso 1.0 Se 2 i
Se11 1.0000000000 0.2811000000 0.6169000000 0.1400000000  Biso 1.0 Se 2 i
Se12 1.0000000000 0.5837000000 0.5886000000 0.2930000000  Biso 1.0 Se 2 i
