data_KNaS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.86
_cell_length_b   4.65
_cell_length_c   8.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNaS
_chemical_formula_sum   'K4 Na4 S4'
_cell_volume   309.16
_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  1  0.73  0.49  0.54  1.0
  K  K1  1  0.13  0.16  0.92  1.0
  K  K2  1  0.8  0.49  0.69  1.0
  K  K3  1  0.05  0.16  0.76  1.0
  Na  Na4  1  0.72  0.49  0.85  1.0
  Na  Na5  1  0.14  0.16  0.61  1.0
  Na  Na6  1  0.79  0.49  0.83  1.0
  Na  Na7  1  0.06  0.16  0.62  1.0
  S  S8  1  0.65  0.49  0.55  1.0
  S  S9  1  0.21  0.16  0.91  1.0
  S  S10  1  0.72  0.49  0.14  1.0
  S  S11  1  0.14  0.16  0.32  1.0

data_KNaS
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.65
_cell_length_b   7.86
_cell_length_c   8.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   KNaS
_chemical_formula_sum   'K4 Na4 S4'
_cell_volume   309.16
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.34  0.13  0.04  1.0
  K  K1  2  0.34  0.2  0.19  1.0
  Na  Na2  2  0.34  0.14  0.89  1.0
  Na  Na3  2  0.34  0.21  0.88  1.0
  S  S4  2  0.34  0.21  0.59  1.0
  S  S5  2  0.34  0.28  0.18  1.0

K K K K Na Na Na Na S S S S