data_[K4S4Cl12]
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/c]
_cell_length_a [8.5477]
_cell_length_b [7.8199]
_cell_length_c [10.2342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2468]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KSCl3]
_chemical_formula_sum '[K4 S4 Cl12]'
_cell_volume [659.9960]
_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  0.2966  0.1051  0.8147  1.0
  S  S1  4  0.2863  0.6199  0.8423  1.0
  Cl  Cl2  4  0.0745  0.0512  0.2754  1.0
  Cl  Cl3  4  0.2382  0.7059  0.0164  1.0
  Cl  Cl4  4  0.4550  0.1980  0.1189  1.0
]