data_[Hf8Fe2Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Fe  1.8300  1.4000  0.8525
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P4/mcc]
_cell_length_a [6.4048]
_cell_length_b [6.4048]
_cell_length_c [5.6084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [124]
_chemical_formula_structural [Hf4FePt]
_chemical_formula_sum '[Hf8 Fe2 Pt2]'
_cell_volume [230.0670]
_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  8  0.1868  0.3401  0.0000  1
  Fe  Fe1  2  0.5000  0.5000  0.2500  1
  Pt  Pt2  2  0.0000  0.0000  0.2500  1
]