data_[Ir3Pb3C3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ir  2.2000  1.3500  0.7650
  Pb  2.3300  1.8000  1.1225
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.3645]
_cell_length_b [3.3645]
_cell_length_c [16.2491]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [IrPbC]
_chemical_formula_sum '[Ir3 Pb3 C3]'
_cell_volume [159.2969]
_cell_formula_units_Z [3]
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  0.6667  0.3333  0.0141  1
  Ir  Ir1  1  0.6667  0.3333  0.3379  1
  Ir  Ir2  1  0.6667  0.3333  0.7150  1
  Pb  Pb3  1  0.0000  0.0000  0.5259  1
  Pb  Pb4  1  0.3333  0.6667  0.1346  1
  Pb  Pb5  1  0.3333  0.6667  0.8842  1
  C  C6  1  0.0000  0.0000  0.3724  1
  C  C7  1  0.0000  0.0000  0.6990  1
  C  C8  1  0.3333  0.6667  0.2729  1
]