data_[K3V5O14]
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 [P31m]
_cell_length_a [8.6752]
_cell_length_b [8.6752]
_cell_length_c [5.0104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [K3V5O14]
_chemical_formula_sum '[K3 V5 O14]'
_cell_volume [326.5636]
_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
[
  K  K0  3  0.0000  0.6083  0.9943  1
  V  V1  3  0.0000  0.2284  0.4742  1
  V  V2  2  0.3333  0.6667  0.4650  1
  O  O3  6  0.1680  0.4610  0.3466  1
  O  O4  3  0.0000  0.2468  0.7954  1
  O  O5  3  0.0000  0.8314  0.4021  1
  O  O6  2  0.3333  0.6667  0.7929  1
]