data_KCd2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   3.42
_cell_length_c   10.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCd2Sn
_chemical_formula_sum   'K1 Cd2 Sn1'
_cell_volume   118.35
_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  K2  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.39  0.0  0.33  1.0
  Cd  Cd1  1  0.39  0.0  0.78  1.0
  Sn  Sn3  1  0.0  0.0  0.05  1.0

data_KCd2Sn
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.42
_cell_length_b   3.42
_cell_length_c   10.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   KCd2Sn
_chemical_formula_sum   'K1 Cd2 Sn1'
_cell_volume   118.38
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Cd  Cd1  1  0.39  0.0  0.33  1.0
  Cd  Cd2  1  0.39  0.0  0.78  1.0
  Sn  Sn3  1  0.0  0.0  0.05  1.0

K Cd Cd Sn
K Cd Cd Sn 0 3 o o o 0 1 o o o 0 1 - o o 0 2 o o - 0 2 - o - 1 3 o o o 1 3 + o o 1 1 o + o 1 1 + o o 2 2 o + o 2 2 + o o 2 3 o o + 2 3 + o + 