data_[In6Pb2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.7326]
_cell_length_b [5.7394]
_cell_length_c [10.1613]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.2407]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [In3PbO6]
_chemical_formula_sum '[In6 Pb2 O12]'
_cell_volume [279.6201]
_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
[
  In  In0  4  0.2819  0.0445  0.7787  1
  In  In1  2  0.5000  0.0000  0.5000  1
  Pb  Pb2  2  0.0000  0.0000  0.0000  1
  O  O3  4  0.1010  0.1053  0.2500  1
  O  O4  4  0.3094  0.6771  0.1123  1
  O  O5  4  0.3933  0.1713  0.0436  1
]