data_[Ti12Pt4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Pt  2.2800  1.3500  0.8050
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2030]
_cell_length_b [3.0571]
_cell_length_c [9.6247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.8636]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti3PtO]
_chemical_formula_sum '[Ti12 Pt4 O4]'
_cell_volume [276.8772]
_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
[
  Ti  Ti0  4  0.1128  0.5000  0.6992  1.0
  Ti  Ti1  4  0.1168  0.0000  0.9700  1.0
  Ti  Ti2  4  0.1286  0.5000  0.2336  1.0
  Pt  Pt3  4  0.1132  0.0000  0.4539  1.0
  O  O4  4  0.2435  0.0000  0.8666  1.0
]