# 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

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A3B_mP16_7_6a_2a-001

# Last updated on 2024/08/01

data_O12W4
_pd_phase_name O12W4
_cell_length_a  5.2779300000
_cell_length_b  5.1559400000
_cell_length_c  7.6639200000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  91.7620000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Pc'
_symmetry_Int_Tables_Number  7
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  x,-y,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 0.7870000000 0.7080000000 0.0130000000  Biso 1.0 O 2 a
O2 1.0000000000 0.7150000000 0.2150000000 0.9370000000  Biso 1.0 O 2 a
O3 1.0000000000 0.2914000000 0.7910000000 0.0230000000  Biso 1.0 O 2 a
O4 1.0000000000 0.2050000000 0.2900000000 0.9430000000  Biso 1.0 O 2 a
O5 1.0000000000 0.0040000000 0.0717000000 0.2360000000  Biso 1.0 O 2 a
O6 1.0000000000 0.4990000000 0.4201000000 0.2220000000  Biso 1.0 O 2 a
W7 1.0000000000 0.0040000000 0.9860000000 0.0218000000  Biso 1.0 W 2 a
W8 1.0000000000 0.4920000000 0.4720000000 0.9450000000  Biso 1.0 W 2 a
