data_Ir3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   146.62
_cell_angle_beta   123.31
_cell_angle_gamma   67.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir3C
_chemical_formula_sum   'Ir3 C1'
_cell_volume   50.98
_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  Ir1  1  0.0  0.29  0.47  1.0
  Ir  Ir2  1  0.0  0.0  0.01  1.0
  Ir  Ir3  1  0.39  0.0  0.54  1.0
  C  C0  1  0.0  0.0  0.0  1.0

data_Ir3C
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.58
_cell_length_c   4.83
_cell_angle_alpha   118.34
_cell_angle_beta   106.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir3C
_chemical_formula_sum   'Ir3 C1'
_cell_volume   50.98
_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  Ir0  1  0.53  0.82  0.82  1.0
  Ir  Ir1  1  0.85  0.46  0.85  1.0
  Ir  Ir2  1  0.99  0.99  0.99  1.0
  C  C3  1  0.0  0.0  0.0  1.0

Ir Ir Ir C