data_[Nb8V2W6]
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 [Pmmn]
_cell_length_a [4.5618]
_cell_length_b [9.0479]
_cell_length_c [6.5375]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Nb4VW3]
_chemical_formula_sum '[Nb8 V2 W6]'
_cell_volume [269.8320]
_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  0.0000  0.2489  0.1316  1.0
  Nb  Nb1  2  0.0000  0.0000  0.8678  1.0
  Nb  Nb2  2  0.0000  0.5000  0.8662  1.0
  V  V3  2  0.0000  0.0000  0.3848  1.0
  W  W4  4  0.0000  0.2505  0.6175  1.0
  W  W5  2  0.0000  0.5000  0.3818  1.0
]