data_La2NbPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   6.04
_cell_angle_alpha   99.58
_cell_angle_beta   99.58
_cell_angle_gamma   33.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2NbPb
_chemical_formula_sum   'La2 Nb1 Pb1'
_cell_volume   112.98
_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  0.17  0.0  0.47  1.0
  La  La1  1  0.08  0.0  0.47  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.12  0.0  0.97  1.0

data_La2NbPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   5.89
_cell_length_c   6.04
_cell_angle_alpha   99.58
_cell_angle_beta   90.0
_cell_angle_gamma   106.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2NbPb
_chemical_formula_sum   'La2 Nb1 Pb1'
_cell_volume   112.98
_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  0.83  0.53  1.0
  La  La1  1  0.0  0.92  0.53  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.88  0.03  1.0

La La Nb Pb