data_[Nb8V16Si12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  Si  1.9000  1.1000  0.5400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0598]
_cell_length_b [5.2275]
_cell_length_c [12.6642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8433]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nb2V4(SiC)3]
_chemical_formula_sum '[Nb8 V16 Si12 C12]'
_cell_volume [582.3578]
_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  8  0.0470  0.4177  0.3941  1
  V  V1  8  0.1125  0.0859  0.5872  1
  V  V2  8  0.2221  0.0821  0.9127  1
  Si  Si3  8  0.1940  0.3903  0.7498  1
  Si  Si4  4  0.0000  0.0269  0.2500  1
  C  C5  8  0.0850  0.2452  1.0000  1
  C  C6  4  0.2500  0.2500  0.5000  1
]