data_In2IrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   3.45
_cell_angle_alpha   105.09
_cell_angle_beta   105.09
_cell_angle_gamma   113.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2IrPb
_chemical_formula_sum   'In2 Ir1 Pb1'
_cell_volume   91.74
_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
  In  In0  1  0.75  0.59  0.52  1.0
  In  In1  1  0.75  0.41  0.52  1.0
  Ir  Ir2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.14  0.0  0.0  1.0

data_In2IrPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   5.54
_cell_length_c   5.75
_cell_angle_alpha   117.22
_cell_angle_beta   105.09
_cell_angle_gamma   94.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2IrPb
_chemical_formula_sum   'In2 Ir1 Pb1'
_cell_volume   91.74
_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
  In  In0  1  0.11  0.59  0.34  1.0
  In  In1  1  0.92  0.41  0.16  1.0
  Ir  Ir2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.14  1.0

In In Ir Pb