data_IrC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73
_cell_length_b   3.16
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrC
_chemical_formula_sum   'Ir2 C2'
_cell_volume   43.78
_cell_formula_units_Z   2
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
  Ir  Ir2  1  0.0  0.0  0.23  1.0
  Ir  Ir3  1  0.37  0.58  0.83  1.0
  C  C0  1  0.0  0.0  0.32  1.0
  C  C1  1  0.37  0.58  0.75  1.0

data_IrC
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.73
_cell_length_b   3.16
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   IrC
_chemical_formula_sum   'Ir2 C2'
_cell_volume   43.78
_cell_formula_units_Z   2
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
  Ir  Ir0  2  0.18  0.29  0.8  1.0
  C  C1  2  0.18  0.29  0.71  1.0

Ir Ir C C
Ir Ir C C 0 2 o o o 1 3 o o o 