data_NbPbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   6.44
_cell_angle_alpha   51.35
_cell_angle_beta   51.35
_cell_angle_gamma   51.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbPbO3
_chemical_formula_sum   'Nb2 Pb2 O6'
_cell_volume   150.16
_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
  Nb  Nb0  1  0.0  0.0  0.63  1.0
  Nb  Nb1  1  0.0  0.0  0.09  1.0
  Pb  Pb8  1  0.0  0.0  0.08  1.0
  Pb  Pb9  1  0.0  0.0  0.64  1.0
  O  O2  1  0.96  0.9  0.22  1.0
  O  O3  1  0.17  0.95  0.22  1.0
  O  O4  1  0.87  0.14  0.22  1.0
  O  O5  1  0.13  0.86  0.5  1.0
  O  O6  1  0.83  0.05  0.5  1.0
  O  O7  1  0.04  0.1  0.5  1.0

data_NbPbO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   6.44
_cell_angle_alpha   64.32
_cell_angle_beta   64.32
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NbPbO3
_chemical_formula_sum   'Nb2 Pb2 O6'
_cell_volume   150.16
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.23  0.27  1.0
  Pb  Pb1  2  0.0  0.22  0.28  1.0
  O  O2  2  0.05  0.64  0.98  1.0
  O  O3  2  0.1  0.64  0.72  1.0
  O  O4  2  0.14  0.36  0.12  1.0

Nb Nb Pb Pb O O O O O O