data_[Hf6As8Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  As  2.1800  1.1500  0.6600
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.1748]
_cell_length_b [6.1748]
_cell_length_c [12.0787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Hf3(AsPt)4]
_chemical_formula_sum '[Hf6 As8 Pt8]'
_cell_volume [460.5352]
_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  0.0000  0.5000  0.2500  1
  Hf  Hf1  2  0.0000  0.0000  0.5000  1
  As  As2  4  0.0000  0.0000  0.2398  1
  As  As3  4  0.0000  0.5000  0.0000  1
  Pt  Pt4  8  0.2422  0.2422  0.6285  1
]