data_KZn2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   122.33
_cell_angle_beta   122.33
_cell_angle_gamma   86.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZn2Cd
_chemical_formula_sum   'K1 Zn2 Cd1'
_cell_volume   101.15
_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  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.55  0.0  0.94  1.0
  Zn  Zn3  1  0.0  0.55  0.94  1.0
  Cd  Cd0  1  0.0  0.0  0.87  1.0

data_KZn2Cd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.23
_cell_length_b   7.23
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   133.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KZn2Cd
_chemical_formula_sum   'K2 Zn4 Cd2'
_cell_volume   202.29
_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  0.0  1.0
  Zn  Zn1  4  0.34  0.28  0.62  1.0
  Cd  Cd2  2  0.13  0.0  0.13  1.0

K Zn Zn Cd