data_[K4Zn4Cd2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zn  1.6500  1.3500  0.8800
  Cd  1.6900  1.5500  1.0900
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3525]
_cell_length_b [4.0649]
_cell_length_c [7.7476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2070]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Zn2CdSe4]
_chemical_formula_sum '[K4 Zn4 Cd2 Se8]'
_cell_volume [486.3216]
_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  0.1242  0.0000  0.5362  1.0
  Zn  Zn1  4  0.1735  0.5000  0.9855  1.0
  Cd  Cd2  2  0.0000  0.0000  0.0000  1.0
  Se  Se3  4  0.0246  0.5000  0.7736  1.0
  Se  Se4  4  0.2147  0.0000  0.1888  1.0
]