data_[K2Li1V1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  V  1.6300  1.3500  0.7775
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.7306]
_cell_length_b [7.7683]
_cell_length_c [8.2740]
_cell_angle_alpha [117.7705]
_cell_angle_beta [117.5790]
_cell_angle_gamma [90.2683]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [K2LiVI6]
_chemical_formula_sum '[K2 Li1 V1 I6]'
_cell_volume [373.9937]
_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  1  0.2442  0.7436  0.4922  1.0
  K  K1  1  0.7470  0.2482  0.4916  1.0
  Li  Li2  1  0.5364  0.5361  0.0713  1.0
  V  V3  1  0.9994  0.0007  0.0004  1.0
  I  I4  1  0.1810  0.6924  0.0024  1.0
  I  I5  1  0.2169  0.2326  0.4489  1.0
  I  I6  1  0.3039  0.1769  0.9919  1.0
  I  I7  1  0.6846  0.8134  0.9884  1.0
  I  I8  1  0.7740  0.7580  0.5329  1.0
  I  I9  1  0.8067  0.2973  0.9780  1.0
]