data_[Re4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4191]
_cell_length_b [6.5231]
_cell_length_c [7.0447]
_cell_angle_alpha [91.7795]
_cell_angle_beta [103.9742]
_cell_angle_gamma [118.8366]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ReS2]
_chemical_formula_sum '[Re4 S8]'
_cell_volume [246.9456]
_cell_formula_units_Z [4]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Re  Re0  2  0.0582  0.3105  0.4919  1.0
  Re  Re1  2  0.4875  0.2856  0.4979  1.0
  S  S2  2  0.2199  0.1078  0.7010  1.0
  S  S3  2  0.2520  0.8675  0.3241  1.0
  S  S4  2  0.2592  0.3869  0.2401  1.0
  S  S5  2  0.2687  0.6522  0.7332  1.0
]