data_[K6Ce6Pt2S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ce  1.1200  1.8500  1.0800
  Pt  2.2800  1.3500  0.8050
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5122]
_cell_length_b [7.8659]
_cell_length_c [8.8175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.2903]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Ce3PtS8]
_chemical_formula_sum '[K6 Ce6 Pt2 S16]'
_cell_volume [841.3707]
_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  4  0.2500  0.2500  0.0000  1
  K  K1  2  0.0000  0.0000  0.0000  1
  Ce  Ce2  4  0.2500  0.2500  0.5000  1
  Ce  Ce3  2  0.0000  0.5000  0.5000  1
  Pt  Pt4  2  0.0000  0.0000  0.5000  1
  S  S5  8  0.0186  0.2155  0.3278  1
  S  S6  4  0.1956  0.5000  0.2561  1
  S  S7  4  0.2324  0.5000  0.7093  1
]