data_[Ti8Re16Pb16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Re  1.9000  1.3500  0.7125
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.6637]
_cell_length_b [11.4303]
_cell_length_c [13.7030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Ti(RePb)2]
_chemical_formula_sum '[Ti8 Re16 Pb16]'
_cell_volume [887.1011]
_cell_formula_units_Z [8]
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  8  0.0000  0.0000  0.0000  1
  Re  Re1  16  0.1250  0.1250  0.1250  1
  Pb  Pb2  16  0.0000  0.1579  0.5000  1
]