data_La2TaPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   5.35
_cell_length_c   5.98
_cell_angle_alpha   90.0
_cell_angle_beta   91.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TaPb
_chemical_formula_sum   'La2 Ta1 Pb1'
_cell_volume   112.25
_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  0.99  0.68  0.6  1.0
  La  La1  1  0.92  0.0  0.84  1.0
  Ta  Ta3  1  0.19  0.0  0.65  1.0
  Pb  Pb2  1  0.2  0.68  0.83  1.0

data_La2TaPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   5.35
_cell_length_c   5.98
_cell_angle_alpha   90.0
_cell_angle_beta   91.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TaPb
_chemical_formula_sum   'La2 Ta1 Pb1'
_cell_volume   112.25
_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  0.92  0.0  0.84  1.0
  La  La1  1  0.99  0.68  0.6  1.0
  Ta  Ta2  1  0.19  0.0  0.65  1.0
  Pb  Pb3  1  0.2  0.68  0.83  1.0

La La Ta Pb