data_[U4Nb4C6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  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 [11.5926]
_cell_length_b [3.2711]
_cell_length_c [5.7624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [U2Nb2C3]
_chemical_formula_sum '[U4 Nb4 C6]'
_cell_volume [209.5154]
_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
[
  U  U0  4  0.1146  0.5000  0.8451  1
  Nb  Nb1  4  0.1434  0.0000  0.3557  1
  C  C2  4  0.2482  0.5000  0.2512  1
  C  C3  2  0.0000  0.0000  0.0000  1
]