data_[Mo12H4Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  H  2.2000  0.2500  0.0000
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.5957]
_cell_length_b [4.5957]
_cell_length_c [19.1318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [Mo3HPt]
_chemical_formula_sum '[Mo12 H4 Pt4]'
_cell_volume [404.0758]
_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
[
  Mo  Mo0  8  0.0000  0.2631  0.6186  1
  Mo  Mo1  4  0.0000  0.0000  0.1722  1
  H  H2  4  0.0000  0.5000  0.1450  1
  Pt  Pt3  2  0.0000  0.0000  0.5000  1
  Pt  Pt4  2  0.0000  0.5000  0.7500  1
]