data_[Ti8Mo8W8]
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 [Cc]
_cell_length_a [6.8412]
_cell_length_b [9.1933]
_cell_length_c [7.1767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5611]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [TiMoW]
_chemical_formula_sum '[Ti8 Mo8 W8]'
_cell_volume [419.7792]
_cell_formula_units_Z [8]
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  4  0.0869  0.3804  0.0394  1
  Ti  Ti1  4  0.3108  0.1080  0.1261  1
  Mo  Mo2  4  0.0011  0.1399  0.6914  1
  Mo  Mo3  4  0.4133  0.1454  0.8082  1
  W  W4  4  0.1062  0.1094  0.3766  1
  W  W5  4  0.3383  0.3740  0.4762  1
]