data_[Ta12Nb8W4]
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 [Imma]
_cell_length_a [4.6485]
_cell_length_b [6.6153]
_cell_length_c [13.9592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Ta3Nb2W]
_chemical_formula_sum '[Ta12 Nb8 W4]'
_cell_volume [429.2668]
_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  8  0.0000  0.0074  0.3314  1.0
  Ta  Ta1  4  0.0000  0.0000  0.0000  1.0
  Nb  Nb2  4  0.0000  0.2500  0.5013  1.0
  Nb  Nb3  4  0.0000  0.2500  0.8326  1.0
  W  W4  4  0.0000  0.2500  0.1663  1.0
]