data_[Ta12Ti2W4]
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 [C2/m]
_cell_length_a [10.3551]
_cell_length_b [3.2642]
_cell_length_c [9.8922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6759]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta6TiW2]
_chemical_formula_sum '[Ta12 Ti2 W4]'
_cell_volume [316.7635]
_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  0.0060  0.0000  0.3292  1
  Ta  Ta1  4  0.1692  0.5000  0.5627  1
  Ta  Ta2  4  0.1745  0.5000  0.8864  1
  Ti  Ti3  2  0.0000  0.0000  0.0000  1
  W  W4  4  0.1661  0.5000  0.2215  1
]