data_InIr2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   5.02
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   98.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InIr2Pb
_chemical_formula_sum   'In1 Ir2 Pb1'
_cell_volume   77.4
_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  0.42  0.0  1.0  1.0
  Ir  Ir1  1  0.99  0.51  0.1  1.0
  Ir  Ir2  1  0.19  0.0  0.63  1.0
  Pb  Pb3  1  0.91  0.51  0.69  1.0

data_InIr2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   5.0
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InIr2Pb
_chemical_formula_sum   'In1 Ir2 Pb1'
_cell_volume   77.4
_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  0.58  0.0  0.0  1.0
  Ir  Ir1  1  0.01  0.9  0.49  1.0
  Ir  Ir2  1  0.81  0.37  0.0  1.0
  Pb  Pb3  1  0.09  0.31  0.49  1.0

In Ir Ir Pb