data_KSbS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.56
_cell_length_b   6.93
_cell_length_c   27.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   123.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSbS2
_chemical_formula_sum   'K2 Sb2 S4'
_cell_volume   1365.36
_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  0.5  0.25  0.12  1.0
  K  K1  1  0.5  0.75  0.22  1.0
  Sb  Sb2  1  0.0  0.75  0.2  1.0
  Sb  Sb3  1  0.0  0.25  0.14  1.0
  S  S4  1  0.21  0.73  0.15  1.0
  S  S5  1  0.79  0.77  0.15  1.0
  S  S6  1  0.21  0.23  0.2  1.0
  S  S7  1  0.79  0.27  0.2  1.0

K K Sb Sb S S S S 0 6 o o o 0 4 o - o 0 7 o o o 0 5 o o o 1 6 o o o 1 4 o o o 1 7 o + o 1 5 o o o 2 7 - o o 2 5 - o o 2 4 o o o 2 6 o + o 3 5 - - o 3 7 - o o 3 6 o o o 3 4 o o o 
data_KSbS2
_symmetry_space_group_name_H-M   P2/c
_cell_length_a   7.52
_cell_length_b   27.47
_cell_length_c   6.93
_cell_angle_alpha   90.0
_cell_angle_beta   107.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   13
_chemical_formula_structural   KSbS2
_chemical_formula_sum   'K2 Sb2 S4'
_cell_volume   1365.36
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z+1/2'
  4  'x, -y, z+1/2'
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  0.5  0.05  0.25  1.0
  Sb  Sb1  2  0.0  0.03  0.75  1.0
  S  S2  4  0.21  0.03  0.49  1.0
