data_[Nb4V6Si8]
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
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.5003]
_cell_length_b [6.5057]
_cell_length_c [6.4073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6206]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nb2V3Si4]
_chemical_formula_sum '[Nb4 V6 Si8]'
_cell_volume [255.2261]
_cell_formula_units_Z [2]
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  4  0.1887  0.1705  0.0580  1
  V  V1  4  0.2515  0.6725  0.2461  1
  V  V2  2  0.5000  0.0000  0.5000  1
  Si  Si3  4  0.0773  0.5400  0.8540  1
  Si  Si4  4  0.4942  0.1299  0.8675  1
]