data_KNiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   3.4
_cell_length_c   9.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNiSb2
_chemical_formula_sum   'K1 Ni1 Sb2'
_cell_volume   104.39
_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  0.8  1.0
  Ni  Ni1  1  0.7  0.7  0.4  1.0
  Sb  Sb2  1  0.0  0.0  0.41  1.0
  Sb  Sb3  1  0.7  0.7  0.03  1.0

data_KNiSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   9.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KNiSb2
_chemical_formula_sum   'K2 Ni2 Sb4'
_cell_volume   208.78
_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  2  0.0  0.0  0.8  1.0
  Ni  Ni1  2  0.2  0.5  0.4  1.0
  Sb  Sb2  2  0.0  0.0  0.41  1.0
  Sb  Sb3  2  0.2  0.5  0.03  1.0

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