data_[Nb12C10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.5211]
_cell_length_b [9.5373]
_cell_length_c [5.5121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6778]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nb6C5]
_chemical_formula_sum '[Nb12 C10]'
_cell_volume [273.2992]
_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
[
  Nb  Nb0  8  0.2403  0.3234  0.7463  1.0
  Nb  Nb1  4  0.2356  0.5000  0.2644  1.0
  C  C2  4  0.0000  0.1668  0.5000  1.0
  C  C3  4  0.0000  0.3352  0.0000  1.0
  C  C4  2  0.0000  0.5000  0.5000  1.0
]