data_[Nb4V12W8]
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 [Cmmm]
_cell_length_a [4.3795]
_cell_length_b [13.2515]
_cell_length_c [6.2437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [NbV3W2]
_chemical_formula_sum '[Nb4 V12 W8]'
_cell_volume [362.3541]
_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  4  0.0000  0.3343  0.0000  1.0
  V  V1  8  0.0000  0.1646  0.2559  1.0
  V  V2  4  0.0000  0.5000  0.2551  1.0
  W  W3  4  0.0000  0.3332  0.5000  1.0
  W  W4  2  0.0000  0.0000  0.0000  1.0
  W  W5  2  0.0000  0.0000  0.5000  1.0
]