data_[Ti2Mo1Pb3O9]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.6590]
_cell_length_b [5.6590]
_cell_length_c [7.0435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ti2Mo(PbO3)3]
_chemical_formula_sum '[Ti2 Mo1 Pb3 O9]'
_cell_volume [195.3421]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.8255  1.0
  Mo  Mo1  1  0.0000  0.0000  0.5000  1.0
  Pb  Pb2  2  0.3333  0.6667  0.2970  1.0
  Pb  Pb3  1  0.0000  0.0000  0.0000  1.0
  O  O4  6  0.1676  0.3352  0.6761  1.0
  O  O5  3  0.0000  0.5000  0.0000  1.0
]