# 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_mP46_11_8e_2e_13e-001

# Last updated on 2024/07/03

data_A8B2C13_mP46_11_8e_2e_13e-001
_pd_phase_name A8B2C13_mP46_11_8e_2e_13e-001
_cell_length_a  17.4920000000
_cell_length_b  4.2050000000
_cell_length_c  18.4609951139
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.4900043515
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2_{1}/m'
_symmetry_Int_Tables_Number  11
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y+1/2,-z
  3  -x,-y,-z
  4  x,-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
Bi1 1.0000000000 0.0808000000 0.2500000000 0.9215000000  Biso 1.0 Bi 2 e
Bi2 1.0000000000 0.8271000000 0.2500000000 0.8761000000  Biso 1.0 Bi 2 e
Bi3 1.0000000000 0.3273000000 0.2500000000 0.9816000000  Biso 1.0 Bi 2 e
Bi4 1.0000000000 0.1062000000 0.2500000000 0.5239000000  Biso 1.0 Bi 2 e
Bi5 1.0000000000 0.6954000000 0.2500000000 0.4509000000  Biso 1.0 Bi 2 e
Bi6 1.0000000000 0.0145000000 0.2500000000 0.2524000000  Biso 1.0 Bi 2 e
Bi7 1.0000000000 0.5061000000 0.2500000000 0.6118000000  Biso 1.0 Bi 2 e
Bi8 1.0000000000 0.2936000000 0.2500000000 0.3281000000  Biso 1.0 Bi 2 e
K9  1.0000000000 0.7323000000 0.2500000000 0.2102000000  Biso 1.0 K 2 e
K10 1.0000000000 0.4900000000 0.2500000000 0.1560000000  Biso 1.0 K 2 e
Se11 1.0000000000 0.9829000000 0.2500000000 0.4039000000  Biso 1.0 Se 2 e
Se12 1.0000000000 0.1019000000 0.2500000000 0.7736000000  Biso 1.0 Se 2 e
Se13 1.0000000000 0.8058000000 0.2500000000 0.0596000000  Biso 1.0 Se 2 e
Se14 1.0000000000 0.6115000000 0.2500000000 0.7227000000  Biso 1.0 Se 2 e
Se15 1.0000000000 0.8098000000 0.2500000000 0.5582000000  Biso 1.0 Se 2 e
Se16 1.0000000000 0.2291000000 0.2500000000 0.6289000000  Biso 1.0 Se 2 e
Se17 1.0000000000 0.0430000000 0.2500000000 0.0924000000  Biso 1.0 Se 2 e
Se18 1.0000000000 0.8666000000 0.2500000000 0.7340000000  Biso 1.0 Se 2 e
Se19 1.0000000000 0.3664000000 0.2500000000 0.8361000000  Biso 1.0 Se 2 e
Se20 1.0000000000 0.5739000000 0.2500000000 0.9894000000  Biso 1.0 Se 2 e
Se21 1.0000000000 0.5764000000 0.2500000000 0.3224000000  Biso 1.0 Se 2 e
Se22 1.0000000000 0.2776000000 0.2500000000 0.1493000000  Biso 1.0 Se 2 e
Se23 1.0000000000 0.3923000000 0.2500000000 0.4642000000  Biso 1.0 Se 2 e
