data_[K4Cu4Sn2I12]
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 [C2/m]
_cell_length_a [14.3975]
_cell_length_b [8.5120]
_cell_length_c [8.5105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.9026]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Cu2SnI6]
_chemical_formula_sum '[K4 Cu4 Sn2 I12]'
_cell_volume [894.9107]
_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  4  0.2376  0.5000  0.2067  1.0
  Cu  Cu1  4  0.0403  0.0000  0.1858  1.0
  Sn  Sn2  2  0.0000  0.5000  0.5000  1.0
  I  I3  8  0.0625  0.2482  0.8203  1.0
  I  I4  4  0.2485  0.0000  0.3688  1.0
]