data_[Ta28Nb2W2]
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 [6.6454]
_cell_length_b [9.3467]
_cell_length_c [9.3539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ta14NbW]
_chemical_formula_sum '[Ta28 Nb2 W2]'
_cell_volume [580.9941]
_cell_formula_units_Z [2]
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  8  0.0000  0.2496  0.2471  1
  Ta  Ta1  8  0.2474  0.5000  0.2560  1
  Ta  Ta2  4  0.2500  0.2500  0.0000  1
  Ta  Ta3  4  0.2500  0.2500  0.5000  1
  Ta  Ta4  2  0.0000  0.0000  0.0000  1
  Ta  Ta5  2  0.0000  0.5000  0.0000  1
  Nb  Nb6  2  0.0000  0.0000  0.5000  1
  W  W7  2  0.0000  0.5000  0.5000  1
]