data_[Hf13Pt2]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6402]
_cell_length_b [7.3935]
_cell_length_c [8.5036]
_cell_angle_alpha [68.4713]
_cell_angle_beta [78.1091]
_cell_angle_gamma [82.0013]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Hf13Pt2]
_chemical_formula_sum '[Hf13 Pt2]'
_cell_volume [322.0037]
_cell_formula_units_Z [1]
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  0.0523  0.4243  0.7116  1.0
  Hf  Hf1  2  0.2186  0.1860  0.2200  1.0
  Hf  Hf2  2  0.2521  0.5954  0.9448  1.0
  Hf  Hf3  2  0.2874  0.9986  0.6490  1.0
  Hf  Hf4  2  0.4643  0.3703  0.4150  1.0
  Hf  Hf5  2  0.4894  0.7925  0.1399  1.0
  Hf  Hf6  1  0.0000  0.0000  0.0000  1.0
  Pt  Pt7  2  0.1405  0.7883  0.4306  1.0
]