data_[K2Re6S8O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [8.4056]
_cell_length_b [8.9775]
_cell_length_c [9.4150]
_cell_angle_alpha [80.7394]
_cell_angle_beta [64.3318]
_cell_angle_gamma [67.7362]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KRe3(SO)4]
_chemical_formula_sum '[K2 Re6 S8 O8]'
_cell_volume [592.6177]
_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
[
  K  K0  2  0.2684  0.4586  0.0755  1
  Re  Re1  2  0.2356  0.2206  0.4576  1
  Re  Re2  2  0.3025  0.0015  0.7874  1
  Re  Re3  2  0.3880  0.7982  0.4576  1
  S  S4  2  0.1381  0.0140  0.6291  1
  S  S5  2  0.2774  0.2675  0.6824  1
  S  S6  2  0.3874  0.0104  0.2683  1
  S  S7  2  0.4705  0.7348  0.6791  1
  O  O8  2  0.0657  0.3648  0.4067  1
  O  O9  2  0.1732  0.0049  0.9858  1
  O  O10  2  0.3105  0.6592  0.4313  1
  O  O11  2  0.3799  0.6785  0.0962  1
]