data_[K4In8Te4S24]
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
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.5357]
_cell_length_b [12.4336]
_cell_length_c [8.2960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8340]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KIn2TeS6]
_chemical_formula_sum '[K4 In8 Te4 S24]'
_cell_volume [1119.3183]
_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  0.1090  0.2500  1
  In  In1  8  0.1304  0.4169  0.1519  1
  Te  Te2  4  0.0000  0.2161  0.7500  1
  S  S3  8  0.1157  0.4197  0.4601  1
  S  S4  8  0.1262  0.0956  0.6574  1
  S  S5  8  0.1608  0.2248  0.0678  1
]