data_[Nb1Mo1Pb2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  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 [P4mm]
_cell_length_a [5.8133]
_cell_length_b [5.8133]
_cell_length_c [4.3033]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [NbMo(PbO3)2]
_chemical_formula_sum '[Nb1 Mo1 Pb2 O6]'
_cell_volume [145.4311]
_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
[
  Nb  Nb0  1  0.0000  0.0000  0.6055  1
  Mo  Mo1  1  0.5000  0.5000  0.6531  1
  Pb  Pb2  2  0.0000  0.5000  0.0581  1
  O  O3  4  0.2389  0.2389  0.6868  1
  O  O4  1  0.0000  0.0000  0.1702  1
  O  O5  1  0.5000  0.5000  0.1545  1
]