data_[Nb1Fe2Pb1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Fe  1.8300  1.4000  0.8525
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4241]
_cell_length_b [5.4242]
_cell_length_c [5.9049]
_cell_angle_alpha [91.1320]
_cell_angle_beta [116.2925]
_cell_angle_gamma [119.7096]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NbFe2PbO6]
_chemical_formula_sum '[Nb1 Fe2 Pb1 O6]'
_cell_volume [128.7370]
_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  0.0010  0.9994  0.9850  1.0
  Fe  Fe1  1  0.5915  0.7939  0.3653  1.0
  Fe  Fe2  1  0.5989  0.2977  0.8827  1.0
  Pb  Pb3  1  0.0450  0.5158  0.5512  1.0
  O  O4  1  0.0819  0.3743  0.1436  1.0
  O  O5  1  0.1247  0.1363  0.6979  1.0
  O  O6  1  0.4402  0.0697  0.1444  1.0
  O  O7  1  0.5764  0.9811  0.6877  1.0
  O  O8  1  0.7262  0.5896  0.6963  1.0
  O  O9  1  0.7798  0.7198  0.1484  1.0
]