data_[Hf4Zr16Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.9935]
_cell_length_b [12.6912]
_cell_length_c [5.5800]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5548]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [HfZr4Pt]
_chemical_formula_sum '[Hf4 Zr16 Pt4]'
_cell_volume [530.0339]
_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  0.3901  0.7500  1
  Zr  Zr1  8  0.1093  0.1886  0.0646  1
  Zr  Zr2  8  0.2100  0.4049  0.3587  1
  Pt  Pt3  4  0.0000  0.0056  0.7500  1
]