data_[Nb12Mo4W8]
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 [Imma]
_cell_length_a [4.5897]
_cell_length_b [6.5102]
_cell_length_c [13.7422]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Nb3MoW2]
_chemical_formula_sum '[Nb12 Mo4 W8]'
_cell_volume [410.6181]
_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  8  0.0000  0.0013  0.8330  1.0
  Nb  Nb1  4  0.0000  0.0000  0.5000  1.0
  Mo  Mo2  4  0.0000  0.2500  0.6660  1.0
  W  W3  4  0.0000  0.2500  0.0010  1.0
  W  W4  4  0.0000  0.2500  0.3331  1.0
]