data_[Nb3V1W4]
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
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2108]
_cell_length_b [3.2108]
_cell_length_c [12.8067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Nb3VW4]
_chemical_formula_sum '[Nb3 V1 W4]'
_cell_volume [132.0287]
_cell_formula_units_Z [1]
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  2  0.5000  0.5000  0.2451  1
  Nb  Nb1  1  0.5000  0.5000  0.5000  1
  V  V2  1  0.5000  0.5000  0.0000  1
  W  W3  2  0.0000  0.0000  0.1169  1
  W  W4  2  0.0000  0.0000  0.3721  1
]