# 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:  MgO4W huanzalaite H06

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB4C_mP12_13_e_2g_f-003

# Last updated on 2024/08/01

data_Mg2O8W2
_pd_phase_name Mg2O8W2
_cell_length_a  4.6800000000
_cell_length_b  5.6600000000
_cell_length_c  4.9200000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.3333300000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2/c'
_symmetry_Int_Tables_Number  13
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
  4  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
Mg1 1.0000000000 0.0000000000 0.3408000000 0.2500000000  Biso 1.0 Mg 2 e
W4 1.0000000000 0.5000000000 0.8182000000 0.2500000000  Biso 1.0 W 2 f
O2 1.0000000000 0.7210000000 0.8990000000 0.9300000000  Biso 1.0 O 4 g
O3 1.0000000000 0.7660000000 0.6160000000 0.3910000000  Biso 1.0 O 4 g
