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 [9.6866]
_cell_length_b [9.7243]
_cell_length_c [4.9278]
_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 [464.1790]
_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  0.1662  0.3319  0.0000  1.0
  Si  Si1  4  0.0000  0.0000  0.2500  1.0
  Mo  Mo2  8  0.0779  0.2244  0.5000  1.0
  Mo  Mo3  4  0.0000  0.5000  0.2500  1.0
  W  W4  8  0.2254  0.0760  0.0000  1.0
]