data_[Hf4Sn24Pt16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Sn  1.9600  1.4500  0.8300
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [10.1259]
_cell_length_b [10.3029]
_cell_length_c [9.9041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [Hf(Sn3Pt2)2]
_chemical_formula_sum '[Hf4 Sn24 Pt16]'
_cell_volume [1033.2530]
_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  0.0000  0.0372  1
  Sn  Sn1  8  0.0000  0.1438  0.3217  1
  Sn  Sn2  8  0.1445  0.0000  0.6656  1
  Sn  Sn3  8  0.2500  0.2500  0.4930  1
  Pt  Pt4  8  0.0000  0.2341  0.5854  1
  Pt  Pt5  8  0.2356  0.0000  0.9137  1
]