data_[K4V4H96S8O80]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  V  1.6300  1.3500  0.7775
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pa-3]
_cell_length_a [12.3607]
_cell_length_b [12.3607]
_cell_length_c [12.3607]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [205]
_chemical_formula_structural [KVH24(SO10)2]
_chemical_formula_sum '[K4 V4 H96 S8 O80]'
_cell_volume [1888.5597]
_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  0.0000  0.0000  0.5000  1
  V  V1  4  0.0000  0.0000  0.0000  1
  H  H2  24  0.0059  0.2260  0.2848  1
  H  H3  24  0.0228  0.2133  0.9397  1
  H  H4  24  0.0264  0.7059  0.4358  1
  H  H5  24  0.1260  0.2154  0.3204  1
  S  S6  8  0.1756  0.6756  0.8244  1
  O  O7  24  0.0004  0.5016  0.6628  1
  O  O8  24  0.0514  0.2036  0.3470  1
  O  O9  24  0.0640  0.7215  0.8294  1
  O  O10  8  0.2457  0.7457  0.7543  1
]