data_[K6In16Sn6]
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
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.1328]
_cell_length_b [11.5605]
_cell_length_c [14.7798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [K3In8Sn3]
_chemical_formula_sum '[K6 In16 Sn6]'
_cell_volume [877.0067]
_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  0.0000  0.0000  0.1943  1.0
  K  K1  2  0.0000  0.0000  0.5000  1.0
  In  In2  8  0.0000  0.2754  0.3526  1.0
  In  In3  8  0.0000  0.3711  0.1589  1.0
  Sn  Sn4  4  0.0000  0.1955  0.0000  1.0
  Sn  Sn5  2  0.0000  0.5000  0.5000  1.0
]