data_[K6V2O8]
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 [Pmn2_1]
_cell_length_a [7.9172]
_cell_length_b [6.8767]
_cell_length_c [6.2015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [K3VO4]
_chemical_formula_sum '[K6 V2 O8]'
_cell_volume [337.6348]
_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  4  0.2420  0.6785  0.0115  1.0
  K  K1  2  0.0000  0.8584  0.5145  1.0
  V  V2  2  0.0000  0.1828  0.9981  1.0
  O  O3  4  0.1831  0.3017  0.0894  1.0
  O  O4  2  0.0000  0.1887  0.7164  1.0
  O  O5  2  0.0000  0.9396  0.0845  1.0
]