data_[Ti4Mo5W2]
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 [P-1]
_cell_length_a [2.7367]
_cell_length_b [6.9471]
_cell_length_c [9.4483]
_cell_angle_alpha [91.7057]
_cell_angle_beta [92.9514]
_cell_angle_gamma [98.9189]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ti4Mo5W2]
_chemical_formula_sum '[Ti4 Mo5 W2]'
_cell_volume [177.0937]
_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  2  0.0986  0.6462  0.9059  1
  Ti  Ti1  2  0.1108  0.8169  0.4533  1
  Mo  Mo2  2  0.3094  0.4548  0.3663  1
  Mo  Mo3  2  0.4558  0.0894  0.2791  1
  Mo  Mo4  1  0.5000  0.0000  0.0000  1
  W  W5  2  0.3254  0.2783  0.8158  1
]