data_[Ta18Nb3W3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Nb  1.6000  1.4500  0.8200
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.5859]
_cell_length_b [9.5859]
_cell_length_c [5.5516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ta6NbW]
_chemical_formula_sum '[Ta18 Nb3 W3]'
_cell_volume [441.7822]
_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
[
  Ta  Ta0  18  0.0028  0.5014  0.2500  1
  Nb  Nb1  3  0.0000  0.0000  0.0000  1
  W  W2  3  0.0000  0.0000  0.5000  1
]