data_[Nb3Mo6W18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Mo  2.1600  1.4500  0.7750
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.4488]
_cell_length_b [4.4488]
_cell_length_c [27.2712]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Nb(MoW3)2]
_chemical_formula_sum '[Nb3 Mo6 W18]'
_cell_volume [467.4389]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Mo  Mo1  6  0.0000  0.0000  0.1024  1
  W  W2  6  0.0000  0.0000  0.1967  1
  W  W3  6  0.0000  0.0000  0.2979  1
  W  W4  6  0.0000  0.0000  0.4021  1
]