data_[K2Cu2Sn2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cu  1.9000  1.3500  0.8200
  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 [7.2146]
_cell_length_b [8.3286]
_cell_length_c [9.5935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7676]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KCuSnI4]
_chemical_formula_sum '[K2 Cu2 Sn2 I8]'
_cell_volume [545.7996]
_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  0.2330  0.2500  0.0537  1.0
  Cu  Cu1  2  0.1956  0.7500  0.3179  1.0
  Sn  Sn2  2  0.2158  0.2500  0.5531  1.0
  I  I3  4  0.0181  0.5083  0.7302  1.0
  I  I4  2  0.4304  0.7500  0.1507  1.0
  I  I5  2  0.4534  0.7500  0.5845  1.0
]