data_[Li1Ni1Pb2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ni  1.9100  1.3500  0.7400
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3594]
_cell_length_b [5.3743]
_cell_length_c [5.6773]
_cell_angle_alpha [63.7652]
_cell_angle_beta [61.9051]
_cell_angle_gamma [61.3593]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiNi(PbO3)2]
_chemical_formula_sum '[Li1 Ni1 Pb2 O6]'
_cell_volume [121.5609]
_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
[
  Li  Li0  1  0.2053  0.1979  0.4024  1.0
  Ni  Ni1  1  0.6766  0.6759  0.9693  1.0
  Pb  Pb2  1  0.4693  0.4689  0.5891  1.0
  Pb  Pb3  1  0.9813  0.9824  0.0665  1.0
  O  O4  1  0.0330  0.7858  0.7575  1.0
  O  O5  1  0.3189  0.5740  0.2223  1.0
  O  O6  1  0.4040  0.0511  0.7416  1.0
  O  O7  1  0.5726  0.8795  0.2299  1.0
  O  O8  1  0.7872  0.4211  0.7565  1.0
  O  O9  1  0.8901  0.3018  0.2497  1.0
]