data_[K2V6O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.9672]
_cell_length_b [8.2853]
_cell_length_c [7.4750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5297]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KV3O8]
_chemical_formula_sum '[K2 V6 O16]'
_cell_volume [305.6343]
_cell_formula_units_Z [2]
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  2  0.0457  0.2500  0.4234  1
  V  V1  4  0.4411  0.5515  0.1931  1
  V  V2  2  0.0662  0.2500  0.9065  1
  O  O3  4  0.1111  0.5938  0.2543  1
  O  O4  4  0.3101  0.0864  0.9928  1
  O  O5  4  0.4274  0.5760  0.6578  1
  O  O6  2  0.1426  0.7500  0.9403  1
  O  O7  2  0.4072  0.2500  0.7245  1
]