data_[Re8Sn2S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [14.2444]
_cell_length_b [6.0024]
_cell_length_c [5.7741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Re4SnS7]
_chemical_formula_sum '[Re8 Sn2 S14]'
_cell_volume [493.6871]
_cell_formula_units_Z [2]
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  0.1422  0.2625  0.6075  1
  Re  Re1  4  0.2324  0.6096  0.5553  1
  Sn  Sn2  2  0.0000  0.7261  0.1483  1
  S  S3  4  0.1103  0.2653  0.9818  1
  S  S4  4  0.1288  0.8901  0.4463  1
  S  S5  4  0.2053  0.7380  0.9261  1
  S  S6  2  0.0000  0.3757  0.4727  1
]