data_[K2In2Sn2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9225]
_cell_length_b [9.1636]
_cell_length_c [9.4486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6980]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KInSnI4]
_chemical_formula_sum '[K2 In2 Sn2 I8]'
_cell_volume [679.7759]
_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  0.2081  0.2500  0.0193  1.0
  In  In1  2  0.2318  0.2500  0.5120  1.0
  Sn  Sn2  2  0.1797  0.7500  0.4027  1.0
  I  I3  4  0.0099  0.5062  0.7545  1.0
  I  I4  2  0.4479  0.7500  0.2114  1.0
  I  I5  2  0.4839  0.7500  0.6787  1.0
]