data_[Re4S8Cl4]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4377]
_cell_length_b [7.5974]
_cell_length_c [12.4313]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0567]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [ReS2Cl]
_chemical_formula_sum '[Re4 S8 Cl4]'
_cell_volume [488.2762]
_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  4  0.2222  0.0179  0.4656  1.0
  S  S1  4  0.1147  0.7196  0.0445  1.0
  S  S2  4  0.4975  0.1680  0.6001  1.0
  Cl  Cl3  4  0.1211  0.1069  0.2747  1.0
]