data_[Ir10C6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ir  2.2000  1.3500  0.7650
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.6619]
_cell_length_b [6.6805]
_cell_length_c [5.9116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7647]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ir5C3]
_chemical_formula_sum '[Ir10 C6]'
_cell_volume [218.0763]
_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  4  0.1649  0.0432  0.3598  1
  Ir  Ir1  2  0.0827  0.2500  0.9239  1
  Ir  Ir2  2  0.2974  0.7500  0.7144  1
  Ir  Ir3  2  0.4730  0.7500  0.3126  1
  C  C4  2  0.1634  0.2500  0.6137  1
  C  C5  2  0.2509  0.7500  0.0210  1
  C  C6  2  0.3492  0.2500  0.2138  1
]