data_[Hf6Al8Pt4]
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 [9.7486]
_cell_length_b [4.4398]
_cell_length_c [8.4590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.3500]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf3(Al2Pt)2]
_chemical_formula_sum '[Hf6 Al8 Pt4]'
_cell_volume [315.9452]
_cell_formula_units_Z [2]
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  0.1558  0.5000  0.6795  1.0
  Hf  Hf1  2  0.0000  0.0000  0.0000  1.0
  Al  Al2  4  0.0933  0.0000  0.4209  1.0
  Al  Al3  4  0.2048  0.5000  0.0426  1.0
  Pt  Pt4  4  0.1110  0.5000  0.2741  1.0
]