data_NaCr2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   4.88
_cell_length_c   5.76
_cell_angle_alpha   90.0
_cell_angle_beta   98.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCr2Cd
_chemical_formula_sum   'Na1 Cr2 Cd1'
_cell_volume   83.53
_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
  Na  Na3  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.13  0.44  0.17  1.0
  Cr  Cr2  1  0.04  0.44  0.53  1.0
  Cd  Cd0  1  0.08  0.0  0.85  1.0

data_NaCr2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.88
_cell_length_c   5.76
_cell_angle_alpha   90.0
_cell_angle_beta   98.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCr2Cd
_chemical_formula_sum   'Na1 Cr2 Cd1'
_cell_volume   83.53
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.04  0.44  0.53  1.0
  Cr  Cr2  1  0.13  0.44  0.17  1.0
  Cd  Cd3  1  0.08  0.0  0.85  1.0

Na Cr Cr Cd
Na Cr Cr Cd 0 3 o o - 0 1 o o o 1 2 o o o 
NaCr2Cd crystallizes in the triclinic P1 space group. Na(1) is bonded in a single-bond geometry to two equivalent Cr(1) and one Cd(1) atom. There is one shorter (2.37 Å) and one longer (2.91 Å) Na(1)-Cr(1) bond length. The Na(1)-Cd(1) bond length is 0.93 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one Cr(2) atom. The Cr(1)-Cr(2) bond length is 2.15 Å. In the second Cr site, Cr(2) is bonded in a 5-coordinate geometry to one Cr(1), two equivalent Cr(2), and two equivalent Cd(1) atoms. Both Cr(2)-Cr(2) bond lengths are 3.00 Å. There is one shorter (2.82 Å) and one longer (3.28 Å) Cr(2)-Cd(1) bond length. Cd(1) is bonded in a single-bond geometry to one Na(1) and two equivalent Cr(2) atoms.