data_[K8Cd4Te4S16]
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
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [8.5022]
_cell_length_b [12.0006]
_cell_length_c [9.1181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [K2CdTeS4]
_chemical_formula_sum '[K8 Cd4 Te4 S16]'
_cell_volume [930.3347]
_cell_formula_units_Z [4]
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  0.4788  1.0
  K  K1  4  0.2500  0.7339  0.2338  1.0
  Cd  Cd2  4  0.0000  0.0000  0.0678  1.0
  Te  Te3  4  0.2500  0.2141  0.8067  1.0
  S  S4  8  0.0267  0.2150  0.9722  1.0
  S  S5  4  0.2500  0.0250  0.7443  1.0
  S  S6  4  0.2500  0.5105  0.7233  1.0
]