data_[K4Re4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Re  1.9000  1.3500  0.7125
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2062]
_cell_length_b [8.5522]
_cell_length_c [6.7915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1464]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KReS4]
_chemical_formula_sum '[K4 Re4 S16]'
_cell_volume [642.6025]
_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
[
  K  K0  4  0.1859  0.0000  0.2623  1
  Re  Re1  4  0.0761  0.5000  0.1876  1
  S  S2  8  0.0868  0.3124  0.4690  1
  S  S3  4  0.0000  0.2896  0.0000  1
  S  S4  4  0.2288  0.0000  0.7912  1
]