# 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:  FeLiO8W2 wodginite

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/ABC8D2_mC48_15_e_e_4f_f-001

# Last updated on 2024/08/01

data_Fe4Li4O32W8
_pd_phase_name Fe4Li4O32W8
_cell_length_a  9.2648000000
_cell_length_b  11.3858000000
_cell_length_c  4.8918000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.4000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'C2/c'
_symmetry_Int_Tables_Number  15
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
  5  x+1/2,y+1/2,z
  6  -x+1/2,y+1/2,-z+1/2
  7  -x+1/2,-y+1/2,-z
  8  x+1/2,-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
Fe1 1.0000000000 -0.0000000000 0.6652600000 0.2500000000  Biso 1.0 Fe 4 e
Li2 1.0000000000 0.0000000000 0.1540000000 0.2500000000  Biso 1.0 Li 4 e
O3 1.0000000000 0.6362000000 0.0598000000 0.0755000000  Biso 1.0 O 8 f
O4 1.0000000000 0.6199000000 0.1822000000 0.5885000000  Biso 1.0 O 8 f
O5 1.0000000000 0.1438000000 0.0497000000 0.0563000000  Biso 1.0 O 8 f
O6 1.0000000000 0.6225000000 0.6951000000 0.6067000000  Biso 1.0 O 8 f
W7 1.0000000000 0.7529700000 0.0913700000 0.7532500000  Biso 1.0 W 8 f
