data_[Ti2Cd2Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Cd  1.6900  1.5500  1.0900
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.8272]
_cell_length_b [5.1895]
_cell_length_c [14.0772]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [TiCdPt4]
_chemical_formula_sum '[Ti2 Cd2 Pt8]'
_cell_volume [206.5385]
_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  2  0.0000  0.5000  0.3447  1
  Cd  Cd1  2  0.0000  0.0000  0.0433  1
  Pt  Pt2  4  0.0000  0.2511  0.7150  1
  Pt  Pt3  2  0.0000  0.0000  0.5466  1
  Pt  Pt4  2  0.0000  0.5000  0.8839  1
]