data_[K8Si4Sn4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Si  1.9000  1.1000  0.5400
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0272]
_cell_length_b [22.9824]
_cell_length_c [14.5885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2SiSnTe5]
_chemical_formula_sum '[K8 Si4 Sn4 Te20]'
_cell_volume [1350.2323]
_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  0.1124  0.2989  1.0
  K  K1  4  0.0000  0.1272  0.6785  1.0
  Si  Si2  4  0.0000  0.4342  0.4322  1.0
  Sn  Sn3  4  0.0000  0.2219  0.0373  1.0
  Te  Te4  4  0.0000  0.0390  0.0371  1.0
  Te  Te5  4  0.0000  0.2821  0.6798  1.0
  Te  Te6  4  0.0000  0.3259  0.3936  1.0
  Te  Te7  4  0.0000  0.3393  0.9854  1.0
  Te  Te8  4  0.0000  0.4842  0.2812  1.0
]