data_KCrCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   4.78
_cell_length_c   7.6
_cell_angle_alpha   90.0
_cell_angle_beta   94.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCrCd2
_chemical_formula_sum   'K1 Cr1 Cd2'
_cell_volume   114.72
_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  K3  1  0.44  0.0  0.72  1.0
  Cr  Cr2  1  0.14  0.39  0.84  1.0
  Cd  Cd0  1  0.69  0.39  0.4  1.0
  Cd  Cd1  1  0.7  0.0  0.39  1.0

data_KCrCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.78
_cell_length_c   7.6
_cell_angle_alpha   90.0
_cell_angle_beta   94.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCrCd2
_chemical_formula_sum   'K1 Cr1 Cd2'
_cell_volume   114.72
_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  0.44  0.0  0.72  1.0
  Cr  Cr1  1  0.14  0.39  0.84  1.0
  Cd  Cd2  1  0.69  0.39  0.4  1.0
  Cd  Cd3  1  0.7  0.0  0.39  1.0

K Cr Cd Cd
K Cr Cd Cd 0 1 o o o 0 3 o o o 2 3 o o o 