data_[Hf4Ga4Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ga  1.8100  1.3000  0.7600
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4117]
_cell_length_b [4.7444]
_cell_length_c [5.6045]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5632]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfGaPt3]
_chemical_formula_sum '[Hf4 Ga4 Pt12]'
_cell_volume [336.0269]
_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  0.1855  0.0000  0.1487  1.0
  Ga  Ga1  4  0.0961  0.5000  0.3895  1.0
  Pt  Pt2  4  0.0066  0.0000  0.2618  1.0
  Pt  Pt3  4  0.1143  0.5000  0.8794  1.0
  Pt  Pt4  4  0.2048  0.0000  0.6683  1.0
]