data_[Ta4Ti4W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ti  1.5400  1.4000  0.8517
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.1253]
_cell_length_b [7.1253]
_cell_length_c [3.5598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ta2Ti2W]
_chemical_formula_sum '[Ta4 Ti4 W2]'
_cell_volume [180.7290]
_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  4  0.1534  0.3466  0.0000  1
  Ti  Ti1  4  0.1495  0.6495  0.5000  1
  W  W2  2  0.0000  0.0000  0.0000  1
]