data_[Hf4Al4Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Al  1.6100  1.2500  0.6750
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2287]
_cell_length_b [4.7510]
_cell_length_c [5.5860]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3361]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfAlPt3]
_chemical_formula_sum '[Hf4 Al4 Pt12]'
_cell_volume [333.2550]
_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  0.1847  0.0000  0.1379  1.0
  Al  Al1  4  0.0947  0.5000  0.3998  1.0
  Pt  Pt2  4  0.0070  0.0000  0.2637  1.0
  Pt  Pt3  4  0.1111  0.5000  0.8801  1.0
  Pt  Pt4  4  0.2108  0.0000  0.6586  1.0
]