data_[Y4Nb4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Nb  1.6000  1.4500  0.8200
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.7595]
_cell_length_b [3.5136]
_cell_length_c [11.1437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [YNbC2]
_chemical_formula_sum '[Y4 Nb4 C8]'
_cell_volume [225.5108]
_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
[
  Y  Y0  4  0.0852  0.7500  0.1398  1.0
  Nb  Nb1  4  0.0944  0.2500  0.3939  1.0
  C  C2  4  0.1488  0.7500  0.7521  1.0
  C  C3  4  0.2245  0.7500  0.4841  1.0
]