data_[Ti4Mo6W4]
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 [C2/m]
_cell_length_a [10.0306]
_cell_length_b [3.1603]
_cell_length_c [7.1086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2968]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti2Mo3W2]
_chemical_formula_sum '[Ti4 Mo6 W4]'
_cell_volume [222.9852]
_cell_formula_units_Z [2]
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  0.2073  0.5000  0.1452  1
  Mo  Mo1  4  0.1435  0.0000  0.4342  1
  Mo  Mo2  2  0.0000  0.0000  0.0000  1
  W  W3  4  0.0698  0.5000  0.7151  1
]