data_[Nb4V8Mo20W4]
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
  Mo  2.1600  1.4500  0.7750
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.1460]
_cell_length_b [13.2842]
_cell_length_c [13.4694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NbV2Mo5W]
_chemical_formula_sum '[Nb4 V8 Mo20 W4]'
_cell_volume [562.9093]
_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  0.4185  0.4236  1.0
  V  V1  4  0.0000  0.0831  0.7564  1.0
  V  V2  4  0.0000  0.0858  0.4247  1.0
  Mo  Mo3  4  0.0000  0.0819  0.0934  1.0
  Mo  Mo4  4  0.0000  0.2488  0.5921  1.0
  Mo  Mo5  4  0.0000  0.2501  0.2584  1.0
  Mo  Mo6  4  0.0000  0.4161  0.0923  1.0
  Mo  Mo7  4  0.0000  0.4180  0.7589  1.0
  W  W8  4  0.0000  0.2528  0.9243  1.0
]