data_La2NbPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   5.91
_cell_angle_alpha   133.14
_cell_angle_beta   128.45
_cell_angle_gamma   72.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2NbPb
_chemical_formula_sum   'La2 Nb1 Pb1'
_cell_volume   115.13
_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
  La  La0  1  0.35  0.0  0.24  1.0
  La  La1  1  0.0  0.57  0.53  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.77  1.0

data_La2NbPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.7
_cell_length_b   5.14
_cell_length_c   5.91
_cell_angle_alpha   115.77
_cell_angle_beta   113.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2NbPb
_chemical_formula_sum   'La2 Nb1 Pb1'
_cell_volume   115.13
_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
  La  La0  1  0.0  0.24  0.89  1.0
  La  La1  1  0.43  0.96  0.96  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.77  0.77  1.0

La La Nb Pb
La La Nb Pb 0 2 o o o 1 3 o + o 1 2 o + + 2 3 o o - 