data_Ir3C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48
_cell_length_b   3.48
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir3C2
_chemical_formula_sum   'Ir3 C2'
_cell_volume   59.27
_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
  Ir  Ir2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.74  0.0  0.81  1.0
  Ir  Ir4  1  0.0  0.01  0.86  1.0
  C  C0  1  0.74  0.0  0.39  1.0
  C  C1  1  0.0  0.01  0.27  1.0

data_Ir3C2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.48
_cell_length_b   6.02
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ir3C2
_chemical_formula_sum   'Ir6 C4'
_cell_volume   118.53
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Ir  Ir1  2  0.24  0.5  0.81  1.0
  Ir  Ir2  2  0.5  0.5  0.86  1.0
  C  C3  2  0.24  0.5  0.39  1.0
  C  C4  2  0.5  0.5  0.27  1.0

Ir Ir Ir C C