data_[K2V2I8]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2958]
_cell_length_b [4.1965]
_cell_length_c [8.7240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3407]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KVI4]
_chemical_formula_sum '[K2 V2 I8]'
_cell_volume [499.5855]
_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  0.0000  0.0000  0.0000  1
  V  V1  2  0.0000  0.5000  0.5000  1
  I  I2  4  0.1115  0.0000  0.4241  1
  I  I3  4  0.1262  0.5000  0.8071  1
]