data_[Ta5W3]
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 [P4/mmm]
_cell_length_a [3.2745]
_cell_length_b [3.2745]
_cell_length_c [12.9890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ta5W3]
_chemical_formula_sum '[Ta5 W3]'
_cell_volume [139.2723]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.2449  1.0
  Ta  Ta1  2  0.5000  0.5000  0.3787  1.0
  Ta  Ta2  1  0.0000  0.0000  0.0000  1.0
  W  W3  2  0.5000  0.5000  0.1246  1.0
  W  W4  1  0.0000  0.0000  0.5000  1.0
]