data_[Nb16V4Ga4]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.6069]
_cell_length_b [11.4091]
_cell_length_c [5.2718]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2168]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nb4VGa]
_chemical_formula_sum '[Nb16 V4 Ga4]'
_cell_volume [423.5580]
_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  0.1156  0.1860  0.5649  1
  Nb  Nb1  8  0.1968  0.4052  0.8508  1
  V  V2  4  0.0000  0.0009  0.2500  1
  Ga  Ga3  4  0.0000  0.3854  0.2500  1
]