# 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:  CsO6W2

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB6C2_cP72_198_2a_4b_ab-001

# Last updated on 2024/08/01

data_Cs8O48W16
_pd_phase_name Cs8O48W16
_cell_length_a  10.3194000000
_cell_length_b  10.3194000000
_cell_length_c  10.3194000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2_{1}3'
_symmetry_Int_Tables_Number  198
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x+1/2,-y,z+1/2
  3  -x,y+1/2,-z+1/2
  4  x+1/2,-y+1/2,-z
  5  z,x,y
  6  z+1/2,-x+1/2,-y
  7  -z+1/2,-x,y+1/2
  8  -z,x+1/2,-y+1/2
  9  y,z,x
  10  -y,z+1/2,-x+1/2
  11  y+1/2,-z+1/2,-x
  12  -y+1/2,-z,x+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
Cs1 1.0000000000 0.2435700000 0.2435700000 0.2435700000  Biso 1.0 Cs 4 a
Cs2 1.0000000000 0.9997700000 0.9997700000 0.9997700000  Biso 1.0 Cs 4 a
W7 1.0000000000 0.3784500000 0.3784500000 0.3784500000  Biso 1.0 W 4 a
O3 1.0000000000 0.5604600000 0.2496200000 0.7504500000  Biso 1.0 O 12 b
O4 1.0000000000 0.5012500000 0.9940200000 0.8197200000  Biso 1.0 O 12 b
O5 1.0000000000 0.5012100000 0.3103400000 0.4903500000  Biso 1.0 O 12 b
O6 1.0000000000 0.7478900000 0.2521800000 0.5677600000  Biso 1.0 O 12 b
W8 1.0000000000 0.6252200000 0.3745600000 0.6284800000  Biso 1.0 W 12 b
