data_[Nb16V8Pb12C12]
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
  Pb  2.3300  1.8000  1.1225
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8723]
_cell_length_b [5.6907]
_cell_length_c [14.1980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4370]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nb4V2(PbC)3]
_chemical_formula_sum '[Nb16 V8 Pb12 C12]'
_cell_volume [775.8122]
_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  0.1095  0.0823  0.5787  1
  Nb  Nb1  8  0.2232  0.0842  0.9213  1
  V  V2  8  0.0605  0.4163  0.4309  1
  Pb  Pb3  8  0.1616  0.4231  0.7497  1
  Pb  Pb4  4  0.0000  0.0914  0.2500  1
  C  C5  8  0.0801  0.2596  1.0000  1
  C  C6  4  0.2500  0.2500  0.5000  1
]