data_[Ti20W4]
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 [P6_3/mmc]
_cell_length_a [5.2643]
_cell_length_b [5.2643]
_cell_length_c [16.6738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Ti5W]
_chemical_formula_sum '[Ti20 W4]'
_cell_volume [400.1687]
_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
[
  Ti  Ti0  6  0.0000  0.5000  0.0000  1
  Ti  Ti1  6  0.1585  0.3169  0.2500  1
  Ti  Ti2  4  0.0000  0.0000  0.0968  1
  Ti  Ti3  4  0.3333  0.6667  0.1280  1
  W  W4  4  0.3333  0.6667  0.6625  1
]