data_K2S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.05
_cell_length_b   7.05
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2S
_chemical_formula_sum   'K4 S2'
_cell_volume   246.01
_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  1  0.19  0.19  0.0  1.0
  K  K1  1  0.86  0.86  0.0  1.0
  K  K2  1  0.71  0.34  0.48  1.0
  K  K3  1  0.34  0.71  0.48  1.0
  S  S4  1  0.0  0.0  0.0  1.0
  S  S5  1  0.52  0.52  0.48  1.0

data_K2S
_symmetry_space_group_name_H-M   Cm
_cell_length_a   9.97
_cell_length_b   9.97
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2S
_chemical_formula_sum   'K8 S4'
_cell_volume   492.02
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.02  0.31  0.48  1.0
  K  K1  2  0.19  0.0  -0.0  1.0
  K  K2  2  0.36  0.5  -0.0  1.0
  S  S3  2  0.0  0.0  0.0  1.0
  S  S4  2  0.02  0.5  0.48  1.0

K K K K S S