data_La2GaPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   3.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2GaPb
_chemical_formula_sum   'La2 Ga1 Pb1'
_cell_volume   117.75
_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  La1  1  0.81  0.24  0.81  1.0
  La  La2  1  0.81  0.76  0.81  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.63  0.0  0.0  1.0

data_La2GaPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   5.76
_cell_length_c   5.76
_cell_angle_alpha   102.03
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2GaPb
_chemical_formula_sum   'La2 Ga1 Pb1'
_cell_volume   117.75
_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  0.81  0.81  0.24  1.0
  La  La1  1  0.81  0.81  0.76  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.63  0.0  1.0

La La Ga Pb
La La Ga Pb 0 3 o o + 0 2 + o + 1 3 o + + 1 2 + + + 