data_[Mo24W8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.9877]
_cell_length_b [8.9595]
_cell_length_c [6.3464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1413]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Mo3W]
_chemical_formula_sum '[Mo24 W8]'
_cell_volume [511.0470]
_cell_formula_units_Z [8]
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
[
  Mo  Mo0  4  0.2500  0.2501  0.0002  1.0
  Mo  Mo1  4  0.2500  0.2501  0.4999  1.0
  Mo  Mo2  4  0.5000  0.2499  0.2498  1.0
  Mo  Mo3  4  0.5000  0.2499  0.7501  1.0
  Mo  Mo4  2  0.0000  0.5000  1.0000  1.0
  Mo  Mo5  2  0.2499  0.5000  0.7501  1.0
  Mo  Mo6  2  0.2499  0.5000  0.2499  1.0
  Mo  Mo7  2  0.2501  0.0000  0.2498  1.0
  W  W8  2  0.0002  0.5000  0.4999  1.0
  W  W9  2  0.2502  0.0000  0.7503  1.0
  W  W10  2  0.4998  0.5000  0.4998  1.0
  W  W11  2  0.4998  0.5000  0.0001  1.0
]