data_[K4Al2Te4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Al  1.6100  1.2500  0.6750
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1607]
_cell_length_b [11.0884]
_cell_length_c [7.9283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7495]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Al(TeS3)2]
_chemical_formula_sum '[K4 Al2 Te4 S12]'
_cell_volume [596.1092]
_cell_formula_units_Z [2]
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  0.1800  0.0000  1.0
  Al  Al1  2  0.0000  0.0000  0.5000  1.0
  Te  Te2  4  0.0000  0.3280  0.5000  1.0
  S  S3  8  0.2035  0.1578  0.6878  1.0
  S  S4  4  0.2213  0.0000  0.3149  1.0
]