data_Ir3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14
_cell_length_b   7.94
_cell_length_c   3.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir3C
_chemical_formula_sum   'Ir6 C2'
_cell_volume   119.21
_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  0.07  0.0  0.28  1.0
  Ir  Ir3  1  0.0  0.97  0.34  1.0
  Ir  Ir4  1  0.0  0.1  0.73  1.0
  Ir  Ir5  1  0.0  0.83  0.73  1.0
  Ir  Ir6  1  0.07  0.14  0.89  1.0
  Ir  Ir7  1  0.07  0.8  0.89  1.0
  C  C0  1  0.0  0.0  0.24  1.0
  C  C1  1  0.07  0.97  0.39  1.0

data_Ir3C
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   4.14
_cell_length_c   7.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir3C
_chemical_formula_sum   'Ir6 C2'
_cell_volume   119.21
_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  Ir0  1  0.28  0.07  0.0  1.0
  Ir  Ir1  1  0.34  -0.0  0.97  1.0
  Ir  Ir2  1  0.73  -0.0  0.83  1.0
  Ir  Ir3  1  0.73  -0.0  0.1  1.0
  Ir  Ir4  1  0.89  0.07  0.14  1.0
  Ir  Ir5  1  0.89  0.07  0.8  1.0
  C  C6  1  0.24  0.0  0.0  1.0
  C  C7  1  0.39  0.07  0.97  1.0

Ir Ir Ir Ir Ir Ir C C