data_[Nb16V8Ga12C12]
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
  Ga  1.8100  1.3000  0.7600
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2765]
_cell_length_b [5.3655]
_cell_length_c [13.6337]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1843]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nb4V2(GaC)3]
_chemical_formula_sum '[Nb16 V8 Ga12 C12]'
_cell_volume [660.6977]
_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  0.1143  0.0817  0.0921  1
  Nb  Nb1  8  0.2186  0.0831  0.4079  1
  V  V2  8  0.0565  0.4168  0.9187  1
  Ga  Ga3  8  0.1517  0.4265  0.2495  1
  Ga  Ga4  4  0.0000  0.1204  0.7500  1
  C  C5  8  0.0807  0.2579  0.5000  1
  C  C6  4  0.2500  0.2500  0.0000  1
]