data_[K2Cd2In2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6489]
_cell_length_b [4.1688]
_cell_length_c [10.7359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2161]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KCdInSe3]
_chemical_formula_sum '[K2 Cd2 In2 Se6]'
_cell_volume [365.5248]
_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  0.2322  0.2500  0.2345  1.0
  Cd  Cd1  2  0.3413  0.7500  0.9192  1.0
  In  In2  2  0.1541  0.2500  0.6450  1.0
  Se  Se3  2  0.0995  0.2500  0.8701  1.0
  Se  Se4  2  0.1943  0.7500  0.5047  1.0
  Se  Se5  2  0.4978  0.2500  0.8152  1.0
]