data_[Mo6W6]
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 [10.0320]
_cell_length_b [3.1842]
_cell_length_c [6.3700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5728]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MoW]
_chemical_formula_sum '[Mo6 W6]'
_cell_volume [192.8835]
_cell_formula_units_Z [6]
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  2  0.0279  0.0000  0.0556  1.0
  Mo  Mo1  2  0.3609  0.0000  0.7223  1.0
  Mo  Mo2  2  0.3612  0.0000  0.2221  1.0
  W  W3  2  0.0276  0.0000  0.5555  1.0
  W  W4  2  0.1943  0.5000  0.8892  1.0
  W  W5  2  0.1947  0.5000  0.3886  1.0
]