# 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:  O10W3

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A10B3_oF52_42_2abce_ab-001

# Last updated on 2024/08/01
data_O40W12
_pd_phase_name O40W12
_cell_length_a  7.4494846573
_cell_length_b  12.6668571160
_cell_length_c  7.7987267020
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Fmm2'
_symmetry_Int_Tables_Number  42
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,z
  3  x,-y,z
  4  -x,y,z
  5  x,y+1/2,z+1/2
  6  -x,-y+1/2,z+1/2
  7  x,-y+1/2,z+1/2
  8  -x,y+1/2,z+1/2
  9  x+1/2,y,z+1/2
  10  -x+1/2,-y,z+1/2
  11  x+1/2,-y,z+1/2
  12  -x+1/2,y,z+1/2
  13  x+1/2,y+1/2,z
  14  -x+1/2,-y+1/2,z
  15  x+1/2,-y+1/2,z
  16  -x+1/2,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
O1 1.0000000000 0.0000000000 -0.0000000000 0.7600000000  Biso 1.0 O 4 a
O2 1.0000000000 0.0000000000 -0.0000000000 0.2700000000  Biso 1.0 O 4 a
W6 1.0000000000 0.0000000000 0.0000000000 0.0000000000  Biso 1.0 W 4 a
O3 1.0000000000 0.2500000000 0.2500000000 0.3100000000  Biso 1.0 O 8 b
W7 1.0000000000 0.2500000000 0.2500000000 0.0600000000  Biso 1.0 W 8 b
O4 1.0000000000 0.0000000000 0.2900000000 0.1000000000  Biso 1.0 O 8 c
O5 1.0000000000 0.1700000000 0.1100000000 0.0700000000  Biso 1.0 O 16 e
