data_[Pr12Pt4Se2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5665]
_cell_length_b [4.1300]
_cell_length_c [8.5128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6882]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Pt2SeS3]
_chemical_formula_sum '[Pr12 Pt4 Se2 S6]'
_cell_volume [631.4298]
_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
[
  Pr  Pr0  4  0.0006  0.0000  0.2597  1.0
  Pr  Pr1  4  0.1662  0.5000  0.5829  1.0
  Pr  Pr2  4  0.1705  0.5000  0.0917  1.0
  Pt  Pt3  4  0.1668  0.0000  0.3356  1.0
  Se  Se4  2  0.0000  0.5000  0.0000  1.0
  S  S5  4  0.1627  0.0000  0.8369  1.0
  S  S6  2  0.0000  0.5000  0.5000  1.0
]