data_[Ta6W6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.3310]
_cell_length_b [3.2317]
_cell_length_c [6.4916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4719]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TaW]
_chemical_formula_sum '[Ta6 W6]'
_cell_volume [205.5698]
_cell_formula_units_Z [6]
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  2  0.0331  0.0000  0.0584  1.0
  Ta  Ta1  2  0.3587  0.0000  0.2238  1.0
  Ta  Ta2  2  0.3589  0.0000  0.7179  1.0
  W  W3  2  0.0317  0.0000  0.5580  1.0
  W  W4  2  0.1916  0.5000  0.3907  1.0
  W  W5  2  0.1927  0.5000  0.8846  1.0
]