data_[Nb12Pt4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Pt  2.2800  1.3500  0.8050
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.8037]
_cell_length_b [12.2822]
_cell_length_c [6.0123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nb3PtS6]
_chemical_formula_sum '[Nb12 Pt4 S24]'
_cell_volume [723.9462]
_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
[
  Nb  Nb0  8  0.1516  0.1134  0.5438  1
  Nb  Nb1  4  0.0000  0.4034  0.6319  1
  Pt  Pt2  4  0.0000  0.2170  0.9130  1
  S  S3  8  0.1689  0.4723  0.3405  1
  S  S4  8  0.1966  0.2895  0.7584  1
  S  S5  4  0.0000  0.0253  0.8479  1
  S  S6  4  0.0000  0.2375  0.3364  1
]