# 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:  O13Re2S2

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A13B2C2_oP34_32_a6c_c_c-001

# Last updated on 2024/08/01

data_O26Re4S4
_pd_phase_name O26Re4S4
_cell_length_a  8.4261784988
_cell_length_b  9.6487043966
_cell_length_c  5.9076251462
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Pba2'
_symmetry_Int_Tables_Number  32
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,z
  3  x+1/2,-y+1/2,z
  4  -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 0.0000000000  Biso 1.0 O 2 a
O2 1.0000000000 0.8080000000 0.5500000000 0.8946000000  Biso 1.0 O 4 c
O3 1.0000000000 0.6140000000 0.7595000000 0.9745000000  Biso 1.0 O 4 c
O4 1.0000000000 0.8197000000 0.8044000000 0.6420000000  Biso 1.0 O 4 c
O5 1.0000000000 0.5367000000 0.6481000000 0.3894000000  Biso 1.0 O 4 c
O6 1.0000000000 0.7689000000 0.9297000000 0.2917000000  Biso 1.0 O 4 c
O7 1.0000000000 0.8392000000 0.6880000000 0.2793000000  Biso 1.0 O 4 c
Re8 1.0000000000 0.6766600000 0.6077300000 0.0844000000  Biso 1.0 Re 4 c
S9 1.0000000000 0.8643000000 0.8235000000 0.4147000000  Biso 1.0 S 4 c
