data_[K2Cd2Sn2Se6]
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
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.3274]
_cell_length_b [4.1475]
_cell_length_c [10.1595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8004]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KCdSnSe3]
_chemical_formula_sum '[K2 Cd2 Sn2 Se6]'
_cell_volume [379.9805]
_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  0.2043  0.2500  0.2430  1.0
  Cd  Cd1  2  0.0910  0.2500  0.6134  1.0
  Sn  Sn2  2  0.3388  0.7500  0.8817  1.0
  Se  Se3  2  0.1245  0.2500  0.8832  1.0
  Se  Se4  2  0.2124  0.7500  0.5157  1.0
  Se  Se5  2  0.4566  0.7500  0.1553  1.0
]