data_[Re4H16S24]
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 [Cc]
_cell_length_a [16.6752]
_cell_length_b [9.1824]
_cell_length_c [8.9358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7874]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Re(H2S3)2]
_chemical_formula_sum '[Re4 H16 S24]'
_cell_volume [1270.4904]
_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  0.4284  0.2334  0.1503  1
  H  H1  4  0.1819  0.2161  0.4333  1
  H  H2  4  0.2430  0.0290  0.7840  1
  H  H3  4  0.2620  0.2633  0.3276  1
  H  H4  4  0.4046  0.0615  0.7133  1
  S  S5  4  0.0139  0.1433  0.5739  1
  S  S6  4  0.1808  0.2089  0.2811  1
  S  S7  4  0.2752  0.1598  0.7549  1
  S  S8  4  0.2922  0.2603  0.9770  1
  S  S9  4  0.4272  0.3108  0.3751  1
  S  S10  4  0.4705  0.0030  0.6752  1
]