data_La2IrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   5.77
_cell_angle_alpha   135.39
_cell_angle_beta   120.74
_cell_angle_gamma   77.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2IrPb
_chemical_formula_sum   'La2 Ir1 Pb1'
_cell_volume   112.91
_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  0.19  0.0  0.86  1.0
  La  La2  1  0.0  0.85  0.65  1.0
  Ir  Ir0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.51  1.0

data_La2IrPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.38
_cell_length_b   5.71
_cell_length_c   5.77
_cell_angle_alpha   119.63
_cell_angle_beta   112.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2IrPb
_chemical_formula_sum   'La2 Ir1 Pb1'
_cell_volume   112.91
_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  0.33  0.14  0.33  1.0
  La  La1  1  0.35  0.2  0.2  1.0
  Ir  Ir2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.49  0.49  0.49  1.0

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