data_[K2Cd2Sb2Se6]
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
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.3787]
_cell_length_b [4.2711]
_cell_length_c [10.0933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8145]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KCdSbSe3]
_chemical_formula_sum '[K2 Cd2 Sb2 Se6]'
_cell_volume [394.2445]
_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  0.1836  0.2500  0.2265  1.0
  Cd  Cd1  2  0.0972  0.2500  0.6076  1.0
  Sb  Sb2  2  0.3446  0.7500  0.8721  1.0
  Se  Se3  2  0.1392  0.2500  0.8794  1.0
  Se  Se4  2  0.2039  0.7500  0.5002  1.0
  Se  Se5  2  0.4323  0.7500  0.1370  1.0
]