data_[K8W12O40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5317]
_cell_length_b [6.0270]
_cell_length_c [9.3858]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5045]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2W3O10]
_chemical_formula_sum '[K8 W12 O40]'
_cell_volume [968.4827]
_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
[
  K  K0  4  0.0941  0.5000  0.7107  1
  K  K1  4  0.2008  0.5000  0.3647  1
  W  W2  4  0.0000  0.2470  0.0000  1
  W  W3  4  0.0948  0.0000  0.5590  1
  W  W4  4  0.1859  0.0000  0.0165  1
  O  O5  8  0.1030  0.2261  0.9981  1
  O  O6  8  0.1457  0.2264  0.5131  1
  O  O7  4  0.0000  0.2009  0.5000  1
  O  O8  4  0.0281  0.5000  0.1462  1
  O  O9  4  0.0292  0.0000  0.1485  1
  O  O10  4  0.1349  0.0000  0.7751  1
  O  O11  4  0.2226  0.0000  0.2194  1
  O  O12  4  0.2500  0.2500  0.0000  1
]