data_[Ti12H2Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  H  2.2000  0.2500  0.0000
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [2.8600]
_cell_length_b [13.0816]
_cell_length_c [7.2571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ti6HPt2]
_chemical_formula_sum '[Ti12 H2 Pt4]'
_cell_volume [271.5108]
_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
[
  Ti  Ti0  4  0.0000  0.1080  0.8887  1
  Ti  Ti1  4  0.5000  0.1927  0.2163  1
  Ti  Ti2  2  0.0000  0.0000  0.2091  1
  Ti  Ti3  2  0.5000  0.0000  0.5516  1
  H  H4  2  0.5000  0.0000  0.9850  1
  Pt  Pt5  4  0.0000  0.1702  0.5222  1
]