data_[K8In4Si4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  In  1.7800  1.5500  0.9400
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9579]
_cell_length_b [23.2115]
_cell_length_c [14.7145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2InSiTe5]
_chemical_formula_sum '[K8 In4 Si4 Te20]'
_cell_volume [1351.7978]
_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  0.1096  0.2949  1.0
  K  K1  4  0.0000  0.1335  0.6843  1.0
  In  In2  4  0.0000  0.2256  0.0359  1.0
  Si  Si3  4  0.0000  0.4315  0.4328  1.0
  Te  Te4  4  0.0000  0.0385  0.0363  1.0
  Te  Te5  4  0.0000  0.2872  0.6755  1.0
  Te  Te6  4  0.0000  0.3239  0.3977  1.0
  Te  Te7  4  0.0000  0.3420  0.9848  1.0
  Te  Te8  4  0.0000  0.4805  0.2818  1.0
]