data_[Hf4Sc12Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Sc  1.3600  1.6000  0.8850
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.3186]
_cell_length_b [9.4720]
_cell_length_c [6.3277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Hf(ScPt)3]
_chemical_formula_sum '[Hf4 Sc12 Pt12]'
_cell_volume [558.5153]
_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  0.0000  0.2510  0.0000  1
  Sc  Sc1  4  0.0000  0.2558  0.5000  1
  Sc  Sc2  4  0.2323  0.5000  0.0000  1
  Sc  Sc3  4  0.2469  0.0000  0.5000  1
  Pt  Pt4  8  0.2500  0.2500  0.2483  1
  Pt  Pt5  4  0.0000  0.0000  0.2364  1
]