data_[Ti2Mo4W16]
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 [16.2139]
_cell_length_b [3.1731]
_cell_length_c [7.1126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2573]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti(MoW4)2]
_chemical_formula_sum '[Ti2 Mo4 W16]'
_cell_volume [353.0347]
_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  0.0000  0.5000  0.0000  1
  Mo  Mo1  4  0.2283  0.0000  0.6373  1
  W  W2  4  0.0461  0.0000  0.7263  1
  W  W3  4  0.0907  0.5000  0.4541  1
  W  W4  4  0.1375  0.0000  0.1838  1
  W  W5  4  0.1810  0.5000  0.9092  1
]