data_KCr2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   9.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCr2Cd
_chemical_formula_sum   'K1 Cr2 Cd1'
_cell_volume   102.93
_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  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.37  0.0  0.15  1.0
  Cr  Cr2  1  0.37  0.0  0.87  1.0
  Cd  Cd0  1  0.0  0.0  0.51  1.0

data_KCr2Cd
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   9.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   KCr2Cd
_chemical_formula_sum   'K1 Cr2 Cd1'
_cell_volume   102.94
_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
  Cr  Cr1  1  0.37  0.0  0.15  1.0
  Cr  Cr2  1  0.37  0.0  0.87  1.0
  Cd  Cd3  1  0.0  0.0  0.51  1.0

K Cr Cr Cd
K Cr Cr Cd 0 2 o o - 0 1 o o o 1 3 + o o 1 3 o o o 2 3 + o o 2 3 o o o 3 3 o + o 3 3 + o o 
KCr2Cd crystallizes in the monoclinic Pm space group. K(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Cr(1) and two equivalent Cr(2) atoms. There is one shorter (1.83 Å) and one longer (2.51 Å) K(1)-Cr(1) bond length. There is one shorter (1.73 Å) and one longer (2.44 Å) K(1)-Cr(2) bond length. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a distorted water-like geometry to two equivalent K(1) and one Cd(1) atom. The Cr(1)-Cd(1) bond length is 3.48 Å. In the second Cr site, Cr(2) is bonded in a distorted water-like geometry to two equivalent K(1) and one Cd(1) atom. The Cr(2)-Cd(1) bond length is 3.48 Å. Cd(1) is bonded to one Cr(1), one Cr(2), and four equivalent Cd(1) atoms to form a mixture of corner and edge-sharing CdCr2Cd4 octahedra. The corner-sharing octahedra are not tilted. All Cd(1)-Cd(1) bond lengths are 3.38 Å.