data_[Hf6Si6Pt6]
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 [P2_1/m]
_cell_length_a [6.6027]
_cell_length_b [3.9318]
_cell_length_c [11.3138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1906]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HfSiPt]
_chemical_formula_sum '[Hf6 Si6 Pt6]'
_cell_volume [293.7120]
_cell_formula_units_Z [6]
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  2  0.0221  0.7500  0.7093  1.0
  Hf  Hf1  2  0.3464  0.2500  0.0791  1.0
  Hf  Hf2  2  0.4711  0.2500  0.3804  1.0
  Si  Si3  2  0.2420  0.2500  0.5839  1.0
  Si  Si4  2  0.2431  0.7500  0.9159  1.0
  Si  Si5  2  0.2694  0.7500  0.2503  1.0
  Pt  Pt6  2  0.0117  0.7500  0.0931  1.0
  Pt  Pt7  2  0.1490  0.7500  0.4578  1.0
  Pt  Pt8  2  0.3678  0.2500  0.7926  1.0
]