data_[Mo1W11O36]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.8614]
_cell_length_b [7.5070]
_cell_length_c [25.9974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [MoW11O36]
_chemical_formula_sum '[Mo1 W11 O36]'
_cell_volume [753.6056]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  W  W1  4  0.0000  0.2499  0.3743  1
  W  W2  4  0.0000  0.2506  0.1241  1
  W  W3  2  0.0000  0.5000  0.2490  1
  W  W4  1  0.0000  0.0000  0.0000  1
  O  O5  4  0.0000  0.1771  0.4458  1
  O  O6  4  0.0000  0.1807  0.0528  1
  O  O7  4  0.0000  0.3206  0.3025  1
  O  O8  4  0.0000  0.3208  0.1957  1
  O  O9  4  0.5000  0.2490  0.3736  1
  O  O10  4  0.5000  0.2513  0.1243  1
  O  O11  2  0.0000  0.0000  0.1416  1
  O  O12  2  0.0000  0.0000  0.3559  1
  O  O13  2  0.0000  0.5000  0.1055  1
  O  O14  2  0.0000  0.5000  0.3931  1
  O  O15  2  0.5000  0.5000  0.2484  1
  O  O16  1  0.5000  0.0000  0.0000  1
  O  O17  1  0.5000  0.0000  0.5000  1
]