data_[K2Li1Cr1I6]
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
  Cr  1.6600  1.4000  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.7458]
_cell_length_b [7.7572]
_cell_length_c [8.2380]
_cell_angle_alpha [117.7522]
_cell_angle_beta [117.9805]
_cell_angle_gamma [90.0677]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [K2LiCrI6]
_chemical_formula_sum '[K2 Li1 Cr1 I6]'
_cell_volume [371.2519]
_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  0.2535  0.7546  0.5080  1.0
  K  K1  1  0.7531  0.2529  0.5069  1.0
  Li  Li2  1  0.4645  0.4641  0.9271  1.0
  Cr  Cr3  1  0.9996  0.0006  0.0005  1.0
  I  I4  1  0.1801  0.6922  0.9998  1.0
  I  I5  1  0.2331  0.2204  0.4595  1.0
  I  I6  1  0.3124  0.1870  0.0102  1.0
  I  I7  1  0.6951  0.8228  0.0082  1.0
  I  I8  1  0.7755  0.7878  0.5590  1.0
  I  I9  1  0.8271  0.3166  0.0186  1.0
]