data_KCdSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   7.01
_cell_angle_alpha   94.77
_cell_angle_beta   94.77
_cell_angle_gamma   33.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCdSb2
_chemical_formula_sum   'K1 Cd1 Sb2'
_cell_volume   126.13
_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  K1  1  0.1  0.0  0.78  1.0
  Cd  Cd0  1  0.16  0.0  0.79  1.0
  Sb  Sb2  1  0.45  0.0  0.56  1.0
  Sb  Sb3  1  0.26  0.0  0.33  1.0

data_KCdSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   5.74
_cell_length_c   7.01
_cell_angle_alpha   94.77
_cell_angle_beta   90.0
_cell_angle_gamma   106.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCdSb2
_chemical_formula_sum   'K1 Cd1 Sb2'
_cell_volume   126.13
_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  0.9  0.22  1.0
  Cd  Cd1  1  0.0  0.84  0.21  1.0
  Sb  Sb2  1  0.0  0.55  0.44  1.0
  Sb  Sb3  1  0.0  0.74  0.67  1.0

K Cd Sb Sb
K Cd Sb Sb 0 1 o o o 2 3 o o o 