data_KSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88
_cell_length_b   6.88
_cell_length_c   6.88
_cell_angle_alpha   152.46
_cell_angle_beta   62.21
_cell_angle_gamma   125.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSb3
_chemical_formula_sum   'K1 Sb3'
_cell_volume   121.84
_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  0.0  0.0  0.36  1.0
  Sb  Sb1  1  0.0  0.89  0.36  1.0
  Sb  Sb2  1  0.64  0.74  0.59  1.0
  Sb  Sb3  1  0.0  0.16  0.75  1.0

data_KSb3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   6.31
_cell_length_c   6.88
_cell_angle_alpha   117.29
_cell_angle_beta   103.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSb3
_chemical_formula_sum   'K1 Sb3'
_cell_volume   121.84
_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  0.36  0.36  0.36  1.0
  Sb  Sb1  1  0.36  0.47  0.47  1.0
  Sb  Sb2  1  0.59  0.85  0.49  1.0
  Sb  Sb3  1  0.75  0.59  0.59  1.0

K Sb Sb Sb
K Sb Sb Sb 0 1 o - o 1 2 - o o 1 3 o + o 2 3 + + o 