data_InPIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72
_cell_length_b   3.72
_cell_length_c   7.13
_cell_angle_alpha   104.87
_cell_angle_beta   104.87
_cell_angle_gamma   46.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InPIr2
_chemical_formula_sum   'In1 P1 Ir2'
_cell_volume   69.08
_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  0.42  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.99  0.0  0.61  1.0
  Ir  Ir2  1  0.84  0.0  0.24  1.0

data_InPIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   3.72
_cell_length_c   7.13
_cell_angle_alpha   104.87
_cell_angle_beta   90.0
_cell_angle_gamma   113.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InPIr2
_chemical_formula_sum   'In1 P1 Ir2'
_cell_volume   69.08
_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  0.58  0.58  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.01  0.39  1.0
  Ir  Ir3  1  0.0  0.16  0.76  1.0

In P Ir Ir