data_[Hf12Pt4S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Pt  2.2800  1.3500  0.8050
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8667]
_cell_length_b [6.6865]
_cell_length_c [10.7475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1378]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Hf6Pt2S]
_chemical_formula_sum '[Hf12 Pt4 S2]'
_cell_volume [364.6103]
_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
[
  Hf  Hf0  4  0.0890  0.2080  0.4412  1.0
  Hf  Hf1  4  0.2869  0.6601  0.4458  1.0
  Hf  Hf2  4  0.3985  0.0317  0.2401  1.0
  Pt  Pt3  4  0.1514  0.1155  0.7334  1.0
  S  S4  2  0.5000  0.0000  0.5000  1.0
]