data_[Ta5W11]
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 [Pm]
_cell_length_a [6.4434]
_cell_length_b [6.4523]
_cell_length_c [6.4480]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0443]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ta5W11]
_chemical_formula_sum '[Ta5 W11]'
_cell_volume [268.0739]
_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  0.2484  0.2514  0.2485  1.0
  Ta  Ta1  1  0.5030  0.0000  0.5025  1.0
  Ta  Ta2  1  0.5036  0.0000  0.9966  1.0
  Ta  Ta3  1  0.9962  0.5000  0.5034  1.0
  W  W4  2  0.2490  0.2512  0.7511  1.0
  W  W5  2  0.7512  0.2512  0.2490  1.0
  W  W6  2  0.7516  0.2514  0.7515  1.0
  W  W7  1  0.5017  0.5000  0.5022  1.0
  W  W8  1  0.5021  0.5000  0.9975  1.0
  W  W9  1  0.9970  0.5000  0.9976  1.0
  W  W10  1  0.9978  0.0000  0.5022  1.0
  W  W11  1  0.9981  0.0000  0.9975  1.0
]