data_[Ti24W6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [10.1995]
_cell_length_b [10.1995]
_cell_length_c [4.7753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Ti4W]
_chemical_formula_sum '[Ti24 W6]'
_cell_volume [496.7689]
_cell_formula_units_Z [6]
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
[
  Ti  Ti0  8  0.0366  0.6297  0.5000  1
  Ti  Ti1  8  0.0674  0.7361  0.0000  1
  Ti  Ti2  8  0.1747  0.1747  0.2540  1
  W  W3  4  0.1010  0.8990  0.5000  1
  W  W4  2  0.0000  0.0000  0.0000  1
]