data_[Nb4Mo12W4]
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 [C2/m]
_cell_length_a [16.3407]
_cell_length_b [3.1859]
_cell_length_c [6.3864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9790]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NbMo3W]
_chemical_formula_sum '[Nb4 Mo12 W4]'
_cell_volume [326.3901]
_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  0.1984  0.0000  0.3467  1
  Mo  Mo1  4  0.0007  0.0000  0.7496  1
  Mo  Mo2  4  0.0987  0.5000  0.5510  1
  Mo  Mo3  4  0.1992  0.0000  0.8512  1
  W  W4  4  0.0985  0.5000  0.0451  1
]