data_[K8Th4In4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Th  1.3000  1.8000  1.0800
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3598]
_cell_length_b [21.6208]
_cell_length_c [15.4578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2ThInTe5]
_chemical_formula_sum '[K8 Th4 In4 Te20]'
_cell_volume [1457.0762]
_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  0.1258  0.6900  1
  K  K1  4  0.0000  0.1297  0.3236  1
  Th  Th2  4  0.0000  0.2069  0.0236  1
  In  In3  4  0.0000  0.4386  0.4264  1
  Te  Te4  4  0.0000  0.0537  0.0438  1
  Te  Te5  4  0.0000  0.2991  0.6637  1
  Te  Te6  4  0.0000  0.3084  0.3744  1
  Te  Te7  4  0.0000  0.3484  0.0082  1
  Te  Te8  4  0.0000  0.4999  0.2703  1
]