data_[K2S2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8270]
_cell_length_b [9.6694]
_cell_length_c [8.1877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6023]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KSCl4]
_chemical_formula_sum '[K2 S2 Cl8]'
_cell_volume [457.2650]
_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  2  0.3976  0.2500  0.3232  1
  S  S1  2  0.2298  0.7500  0.1447  1
  Cl  Cl2  4  0.4035  0.5755  0.3636  1
  Cl  Cl3  2  0.0912  0.2500  0.7951  1
  Cl  Cl4  2  0.1349  0.7500  0.8577  1
]