data_[Hf6Zr4Pt4]
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/m]
_cell_length_a [11.4793]
_cell_length_b [3.4012]
_cell_length_c [8.3711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7159]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf3(ZrPt)2]
_chemical_formula_sum '[Hf6 Zr4 Pt4]'
_cell_volume [296.8939]
_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  0.1122  0.5000  0.4498  1.0
  Hf  Hf1  2  0.0000  0.5000  0.0000  1.0
  Zr  Zr2  4  0.1514  0.0000  0.8202  1.0
  Pt  Pt3  4  0.1653  0.0000  0.2345  1.0
]