data_[Ta12Nb4W12]
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 [Cmmm]
_cell_length_a [9.0347]
_cell_length_b [9.2427]
_cell_length_c [6.2860]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ta3NbW3]
_chemical_formula_sum '[Ta12 Nb4 W12]'
_cell_volume [524.9135]
_cell_formula_units_Z [4]
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  0.0000  0.2532  0.5000  1
  Ta  Ta1  4  0.2469  0.0000  0.0000  1
  Ta  Ta2  4  0.2485  0.0000  0.5000  1
  Nb  Nb3  4  0.0000  0.2629  0.0000  1
  W  W4  8  0.2500  0.2500  0.2504  1
  W  W5  4  0.0000  0.0000  0.2495  1
]