data_[Hf12H2Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  H  2.2000  0.2500  0.0000
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8926]
_cell_length_b [6.1996]
_cell_length_c [10.9363]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.8084]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Hf6HPt2]
_chemical_formula_sum '[Hf12 H2 Pt4]'
_cell_volume [339.5190]
_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  0.0812  0.7106  0.9523  1
  Hf  Hf1  4  0.3203  0.1932  0.9542  1
  Hf  Hf2  4  0.4164  0.5293  0.7483  1
  H  H3  2  0.5000  0.0000  0.5000  1
  Pt  Pt4  4  0.1358  0.6171  0.2456  1
]