data_[La6Pb2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.9562]
_cell_length_b [7.1594]
_cell_length_c [7.5071]
_cell_angle_alpha [63.2790]
_cell_angle_beta [81.4102]
_cell_angle_gamma [68.9625]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [La3PbO]
_chemical_formula_sum '[La6 Pb2 O2]'
_cell_volume [311.6552]
_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
[
  La  La0  1  0.0622  0.1192  0.9309  1.0
  La  La1  1  0.0669  0.5550  0.3678  1.0
  La  La2  1  0.1524  0.6512  0.7995  1.0
  La  La3  1  0.5130  0.0587  0.2671  1.0
  La  La4  1  0.5651  0.6156  0.1373  1.0
  La  La5  1  0.5659  0.1718  0.6844  1.0
  Pb  Pb6  1  0.6540  0.6134  0.6926  1.0
  Pb  Pb7  1  0.9889  0.1168  0.3759  1.0
  O  O8  1  0.2140  0.7272  0.0556  1.0
  O  O9  1  0.2175  0.3711  0.6888  1.0
]