data_[Nb1Cu2Pb3O8]
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 [P-3m1]
_cell_length_a [5.7421]
_cell_length_b [5.7421]
_cell_length_c [7.2749]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [NbCu2Pb3O8]
_chemical_formula_sum '[Nb1 Cu2 Pb3 O8]'
_cell_volume [207.7260]
_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  0.5000  1
  Cu  Cu1  2  0.3333  0.6667  0.2040  1
  Pb  Pb2  2  0.3333  0.6667  0.6555  1
  Pb  Pb3  1  0.0000  0.0000  0.0000  1
  O  O4  6  0.1605  0.3210  0.3312  1
  O  O5  2  0.3333  0.6667  0.9566  1
]