data_[Hf12Mn2Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Mn  1.5500  1.4000  0.6483
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.3914]
_cell_length_b [13.7607]
_cell_length_c [7.4396]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Hf6MnPt2]
_chemical_formula_sum '[Hf12 Mn2 Pt4]'
_cell_volume [347.1885]
_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  0.0000  0.1293  0.8816  1
  Hf  Hf1  4  0.5000  0.1934  0.2199  1
  Hf  Hf2  2  0.0000  0.0000  0.2245  1
  Hf  Hf3  2  0.5000  0.0000  0.5859  1
  Mn  Mn4  2  0.5000  0.0000  0.9601  1
  Pt  Pt5  4  0.0000  0.1622  0.5133  1
]