data_[Ti16Pt2Pb4]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.5846]
_cell_length_b [4.7997]
_cell_length_c [5.3378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8425]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti8PtPb2]
_chemical_formula_sum '[Ti16 Pt2 Pb4]'
_cell_volume [397.8476]
_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  0.0451  0.0000  0.2748  1.0
  Ti  Ti1  4  0.0824  0.5000  0.5589  1.0
  Ti  Ti2  4  0.1607  0.5000  0.1243  1.0
  Ti  Ti3  4  0.2356  0.0000  0.3479  1.0
  Pt  Pt4  2  0.0000  0.5000  0.0000  1.0
  Pb  Pb5  4  0.1517  0.0000  0.8081  1.0
]