# 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:  O3W (gamma)

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/ A3B_mP32_14_6e_2e-001

# Last updated on 2024/08/10

data_O3W
_pd_phase_name O3W
_cell_length_a  7.3271000000
_cell_length_b  7.5644000000
_cell_length_c  10.603520000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  133.2198400000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2_{1}/c'
_symmetry_Int_Tables_Number  14
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y+1/2,-z+1/2
  3  -x,-y,-z
  4  x,-y+1/2,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
O1 1.0000000000 0.7820000000 0.4700000000 0.7820000000  Biso 1.0 O 4 e
O2 1.0000000000 0.7810000000 0.0360000000 0.7790000000  Biso 1.0 O 4 e
O3 1.0000000000 0.0050000000 0.2360000000 0.7230000000  Biso 1.0 O 4 e
O4 1.0000000000 0.4720000000 0.2430000000 0.2580000000  Biso 1.0 O 4 e
O5 1.0000000000 0.2768000000 0.4720000000 0.9998000000  Biso 1.0 O 4 e
O6 1.0000000000 0.2880000000 0.0020000000 0.0000000000  Biso 1.0 O 4 e
W7 1.0000000000 0.9700000000 0.4740000000 0.7170000000  Biso 1.0 W 4 e
W8 1.0000000000 0.4649000000 0.4670000000 0.2189000000  Biso 1.0 W 4 e
