data_KNbSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   3.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNbSb2
_chemical_formula_sum   'K1 Nb1 Sb2'
_cell_volume   99.32
_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  0.0  1.0
  Nb  Nb1  1  0.56  0.0  0.0  1.0
  Sb  Sb2  1  0.78  0.79  0.58  1.0
  Sb  Sb3  1  0.78  0.21  0.58  1.0

data_KNbSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   102.44
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNbSb2
_chemical_formula_sum   'K1 Nb1 Sb2'
_cell_volume   99.32
_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  0.0  1.0
  Nb  Nb1  1  0.0  0.56  0.0  1.0
  Sb  Sb2  1  0.58  0.78  0.21  1.0
  Sb  Sb3  1  0.58  0.78  0.79  1.0

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