data_[Hf3Nb1Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Nb  1.6000  1.4500  0.8200
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0252]
_cell_length_b [4.0252]
_cell_length_c [16.0980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Hf3NbPt12]
_chemical_formula_sum '[Hf3 Nb1 Pt12]'
_cell_volume [260.8277]
_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  0.0000  0.0000  0.2496  1
  Hf  Hf1  1  0.0000  0.0000  0.5000  1
  Nb  Nb2  1  0.0000  0.0000  0.0000  1
  Pt  Pt3  4  0.0000  0.5000  0.1235  1
  Pt  Pt4  4  0.0000  0.5000  0.3747  1
  Pt  Pt5  2  0.5000  0.5000  0.2491  1
  Pt  Pt6  1  0.5000  0.5000  0.0000  1
  Pt  Pt7  1  0.5000  0.5000  0.5000  1
]