# 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:  B9CsO14

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A9BC14_oP96_17_9e_ac_14e-001

# Last updated on 2024/08/01

data_B36Cs4O56
_pd_phase_name B36Cs4O56
_cell_length_a  8.8057700000
_cell_length_b  8.7529800000
_cell_length_c  15.7916100000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P222_{1}'
_symmetry_Int_Tables_Number  17
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,z+1/2
  3  -x,y,-z+1/2
  4  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
Cs10 1.0000000000 0.5259000000 0.0000000000 0.0000000000  Biso 1.0 Cs 2 a
Cs11 1.0000000000 -0.0000000000 0.5084000000 0.2500000000  Biso 1.0 Cs 2 c
B1 1.0000000000 0.3344000000 0.1348000000 0.8117800000  Biso 1.0 B 4 e
B2 1.0000000000 0.4384000000 0.3839000000 0.8680100000  Biso 1.0 B 4 e
B3 1.0000000000 0.2889000000 0.8674000000 0.7789000000  Biso 1.0 B 4 e
B4 1.0000000000 0.1742000000 0.0721000000 0.6999800000  Biso 1.0 B 4 e
B5 1.0000000000 0.3620000000 0.3470000000 0.1254700000  Biso 1.0 B 4 e
B6 1.0000000000 0.8781000000 0.3214000000 0.0528600000  Biso 1.0 B 4 e
B7 1.0000000000 0.6238000000 0.4216000000 0.1095400000  Biso 1.0 B 4 e
B8 1.0000000000 0.1469000000 0.2784000000 0.0271200000  Biso 1.0 B 4 e
B9 1.0000000000 0.9582000000 0.1788000000 0.9332200000  Biso 1.0 B 4 e
O12 1.0000000000 0.2324000000 0.1784000000 0.7475000000  Biso 1.0 O 4 e
O13 1.0000000000 0.2933000000 0.7230000000 0.7997400000  Biso 1.0 O 4 e
O14 1.0000000000 0.3284000000 0.4886000000 0.8662200000  Biso 1.0 O 4 e
O15 1.0000000000 0.4239000000 0.2303000000 0.8543700000  Biso 1.0 O 4 e
O16 1.0000000000 0.3558000000 0.9807000000 0.8247900000  Biso 1.0 O 4 e
O17 1.0000000000 0.2026000000 0.9158000000 0.7081800000  Biso 1.0 O 4 e
O18 1.0000000000 0.0675000000 0.1009000000 0.6397800000  Biso 1.0 O 4 e
O19 1.0000000000 0.5926000000 0.5757000000 0.1143200000  Biso 1.0 O 4 e
O20 1.0000000000 0.8429000000 0.2228000000 0.9877300000  Biso 1.0 O 4 e
O21 1.0000000000 0.2937000000 0.2890000000 0.0475800000  Biso 1.0 O 4 e
O22 1.0000000000 0.5254000000 0.3116000000 0.1169100000  Biso 1.0 O 4 e
O23 1.0000000000 0.7784000000 0.3942000000 0.0995100000  Biso 1.0 O 4 e
O24 1.0000000000 0.0316000000 0.3362000000 0.0748700000  Biso 1.0 O 4 e
O25 1.0000000000 0.1075000000 0.2043000000 0.9529900000  Biso 1.0 O 4 e
