data_[Re4Ir4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Ir  2.2000  1.3500  0.7650
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.5022]
_cell_length_b [7.5022]
_cell_length_c [2.7382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Re2Ir2C]
_chemical_formula_sum '[Re4 Ir4 C2]'
_cell_volume [154.1138]
_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
[
  Re  Re0  4  0.1725  0.3275  0.0000  1
  Ir  Ir1  4  0.1245  0.6245  0.5000  1
  C  C2  2  0.0000  0.0000  0.0000  1
]