data_LaIrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   3.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaIrPb
_chemical_formula_sum   'La1 Ir1 Pb1'
_cell_volume   76.42
_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  0.0  0.0  0.0  1.0
  Ir  Ir0  1  1.0  0.75  0.95  1.0
  Pb  Pb2  1  0.38  0.37  0.95  1.0

data_LaIrPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaIrPb
_chemical_formula_sum   'La1 Ir1 Pb1'
_cell_volume   76.42
_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  0.0  0.0  1.0
  Ir  Ir1  1  0.95  1.0  0.75  1.0
  Pb  Pb2  1  0.95  0.38  0.37  1.0

La Ir Pb
La Ir Pb 0 1 - - - 0 2 o o - 