data_K8Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.22
_cell_length_b   10.22
_cell_length_c   10.22
_cell_angle_alpha   94.02
_cell_angle_beta   94.02
_cell_angle_gamma   149.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K8Sb
_chemical_formula_sum   'K8 Sb1'
_cell_volume   526.01
_cell_formula_units_Z   1
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  0.86  0.14  0.71  1.0
  K  K1  1  0.14  0.86  0.71  1.0
  K  K2  1  0.45  0.0  0.0  1.0
  K  K3  1  0.86  0.86  0.71  1.0
  K  K4  1  0.0  0.45  0.0  1.0
  K  K5  1  0.11  0.11  0.0  1.0
  K  K6  1  0.49  0.0  0.0  1.0
  K  K7  1  0.0  0.49  0.0  1.0
  Sb  Sb8  1  0.0  0.0  0.0  1.0

data_K8Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.41
_cell_length_b   19.72
_cell_length_c   10.22
_cell_angle_alpha   90.0
_cell_angle_beta   105.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K8Sb
_chemical_formula_sum   'K16 Sb2'
_cell_volume   1052.02
_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+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  0.21  0.36  0.71  1.0
  K  K1  4  0.26  0.26  0.0  1.0
  K  K2  4  0.27  0.27  0.0  1.0
  K  K3  2  0.35  0.5  0.71  1.0
  K  K4  2  0.39  0.5  0.0  1.0
  Sb  Sb5  2  0.0  0.0  0.0  1.0

K K K K K K K K Sb
K K K K K K K K Sb 0 4 + o + 0 3 o - o 1 3 - o o 1 2 o + + 2 6 o o o 3 8 + + + 3 5 + + + 4 7 o o o 5 8 o o o 