data_[Nb2Cu2Pb4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Cu  1.9000  1.3500  0.8200
  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 [5.3006]
_cell_length_b [5.3098]
_cell_length_c [11.2518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3262]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NbCu(PbO3)2]
_chemical_formula_sum '[Nb2 Cu2 Pb4 O12]'
_cell_volume [281.3426]
_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  2  0.0000  0.0000  0.5000  1
  Cu  Cu1  2  0.5000  0.0000  0.0000  1
  Pb  Pb2  4  0.2562  0.5244  0.7442  1
  O  O3  4  0.1152  0.5481  0.1970  1
  O  O4  4  0.2198  0.6932  0.5082  1
  O  O5  4  0.3591  0.2164  0.5529  1
]