data_[Ti2Mo6W2]
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 [Cm]
_cell_length_a [10.0101]
_cell_length_b [3.1537]
_cell_length_c [7.0615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.7313]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TiMo3W]
_chemical_formula_sum '[Ti2 Mo6 W2]'
_cell_volume [158.3713]
_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  2  0.4834  0.5000  0.0201  1
  Mo  Mo1  2  0.0833  0.5000  0.8172  1
  Mo  Mo2  2  0.2855  0.5000  0.4233  1
  Mo  Mo3  2  0.3795  0.0000  0.2166  1
  W  W4  2  0.1785  0.0000  0.6122  1
]