data_[Si12Mo12W8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Mo  2.1600  1.4500  0.7750
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.6761]
_cell_length_b [9.6970]
_cell_length_c [4.9375]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Si3Mo3W2]
_chemical_formula_sum '[Si12 Mo12 W8]'
_cell_volume [463.2796]
_cell_formula_units_Z [4]
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
[
  Si  Si0  8  0.1658  0.3317  0.5000  1
  Si  Si1  4  0.0000  0.0000  0.2500  1
  Mo  Mo2  8  0.0779  0.2235  0.0000  1
  Mo  Mo3  4  0.0000  0.5000  0.2500  1
  W  W4  8  0.2242  0.0753  0.5000  1
]