data_[Nb4B8Ir8C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  B  2.0400  0.8500  0.4100
  Ir  2.2000  1.3500  0.7650
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [5.3789]
_cell_length_b [9.7834]
_cell_length_c [5.4959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [NbB2Ir2C]
_chemical_formula_sum '[Nb4 B8 Ir8 C4]'
_cell_volume [289.2214]
_cell_formula_units_Z [4]
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
[
  Nb  Nb0  4  0.0000  0.0000  0.5487  1
  B  B1  8  0.0000  0.1484  0.0102  1
  Ir  Ir2  8  0.2500  0.2500  0.2510  1
  C  C3  4  0.0000  0.0000  0.9333  1
]