data_[Ti6Pb4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3787]
_cell_length_b [6.0846]
_cell_length_c [5.1947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8641]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti3(PbO4)2]
_chemical_formula_sum '[Ti6 Pb4 O16]'
_cell_volume [367.9817]
_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  0.2592  0.0000  1.0
  Ti  Ti1  2  0.0000  0.0000  0.5000  1.0
  Pb  Pb2  4  0.2060  0.5000  0.6629  1.0
  O  O3  8  0.0907  0.2259  0.3906  1.0
  O  O4  4  0.0869  0.0000  0.8972  1.0
  O  O5  4  0.0967  0.5000  0.9625  1.0
]