data_In2IrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.26
_cell_length_c   9.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2IrPb
_chemical_formula_sum   'In2 Ir1 Pb1'
_cell_volume   95.86
_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  0.0  0.0  0.8  1.0
  In  In1  1  0.29  0.0  0.3  1.0
  Ir  Ir2  1  0.0  0.0  0.67  1.0
  Pb  Pb3  1  0.29  0.0  0.79  1.0

data_In2IrPb
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.26
_cell_length_b   3.26
_cell_length_c   9.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   In2IrPb
_chemical_formula_sum   'In2 Ir1 Pb1'
_cell_volume   95.87
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  0.8  1.0
  In  In1  1  0.29  0.0  0.3  1.0
  Ir  Ir2  1  0.0  0.0  0.67  1.0
  Pb  Pb3  1  0.29  0.0  0.79  1.0

In In Ir Pb
In In Ir Pb 0 3 o o o 0 2 o o o 1 1 o + o 1 1 + o o 1 2 o o o 