data_[Ti12Mo2Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Mo  2.1600  1.4500  0.7750
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.3066]
_cell_length_b [13.5537]
_cell_length_c [7.7433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ti6MoPb2]
_chemical_formula_sum '[Ti12 Mo2 Pb4]'
_cell_volume [347.0223]
_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  0.1293  0.8766  1.0
  Ti  Ti1  4  0.5000  0.1821  0.1802  1.0
  Ti  Ti2  2  0.0000  0.0000  0.2500  1.0
  Ti  Ti3  2  0.5000  0.0000  0.6408  1.0
  Mo  Mo4  2  0.5000  0.0000  0.9950  1.0
  Pb  Pb5  4  0.0000  0.1650  0.5004  1.0
]