data_[Ti1Mo4W5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Mo  2.1600  1.4500  0.7750
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.1692]
_cell_length_b [3.1692]
_cell_length_c [15.9265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [TiMo4W5]
_chemical_formula_sum '[Ti1 Mo4 W5]'
_cell_volume [159.9585]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Mo  Mo1  2  0.0000  0.0000  0.1996  1
  Mo  Mo2  2  0.0000  0.0000  0.3999  1
  W  W3  2  0.5000  0.5000  0.1027  1
  W  W4  2  0.5000  0.5000  0.3007  1
  W  W5  1  0.5000  0.5000  0.5000  1
]