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 [C2/m]
_cell_length_a [10.3028]
_cell_length_b [3.2292]
_cell_length_c [6.5529]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2540]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TaW]
_chemical_formula_sum '[Ta6 W6]'
_cell_volume [205.8203]
_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  4  0.1676  0.0000  0.3264  1.0
  Ta  Ta1  2  0.0000  0.5000  0.5000  1.0
  W  W2  4  0.1659  0.0000  0.8390  1.0
  W  W3  2  0.0000  0.5000  0.0000  1.0
]