data_[Re4H16S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.5929]
_cell_length_b [8.2589]
_cell_length_c [6.7060]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6019]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Re2H8S]
_chemical_formula_sum '[Re4 H16 S2]'
_cell_volume [307.0403]
_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  0.0830  0.0000  0.6875  1
  H  H1  8  0.2321  0.1710  0.7023  1
  H  H2  4  0.1199  0.5000  0.2514  1
  H  H3  4  0.2269  0.0000  0.4696  1
  S  S4  2  0.0000  0.0000  0.0000  1
]