data_[Mo6W42]
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 [R-3m]
_cell_length_a [9.0142]
_cell_length_b [9.0142]
_cell_length_c [11.0419]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [MoW7]
_chemical_formula_sum '[Mo6 W42]'
_cell_volume [777.0103]
_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  6  0.0000  0.0000  0.3750  1.0
  W  W1  18  0.0001  0.5001  0.3750  1.0
  W  W2  18  0.0002  0.5001  0.1250  1.0
  W  W3  6  0.0000  0.0000  0.1252  1.0
]