data_[Hf8Si8Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Si  1.9000  1.1000  0.5400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1297]
_cell_length_b [3.9622]
_cell_length_c [9.4775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.7679]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf2Si2Pt]
_chemical_formula_sum '[Hf8 Si8 Pt4]'
_cell_volume [336.5845]
_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
[
  Hf  Hf0  4  0.0132  0.0000  0.6853  1.0
  Hf  Hf1  4  0.1898  0.0000  0.1006  1.0
  Si  Si2  4  0.0300  0.5000  0.8896  1.0
  Si  Si3  4  0.1310  0.5000  0.5646  1.0
  Pt  Pt4  4  0.2144  0.5000  0.3505  1.0
]