data_SrNb2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52
_cell_length_b   6.52
_cell_length_c   6.52
_cell_angle_alpha   152.52
_cell_angle_beta   132.83
_cell_angle_gamma   55.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNb2Cd
_chemical_formula_sum   'Sr1 Nb2 Cd1'
_cell_volume   93.36
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.55  0.0  0.17  1.0
  Nb  Nb2  1  0.0  0.61  0.6  1.0
  Cd  Cd0  1  0.0  0.0  0.77  1.0

data_SrNb2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   5.22
_cell_length_c   6.52
_cell_angle_alpha   113.58
_cell_angle_beta   103.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNb2Cd
_chemical_formula_sum   'Sr1 Nb2 Cd1'
_cell_volume   93.36
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.0  0.17  0.63  1.0
  Nb  Nb2  1  0.39  0.99  0.99  1.0
  Cd  Cd3  1  0.0  0.77  0.77  1.0

Sr Nb Nb Cd
Sr Nb Nb Cd 0 2 o - - 0 3 o o - 0 1 o o o 1 2 o - - 1 3 o o - 1 3 + o o 1 1 o + + 2 3 o + o 
SrNb2Cd crystallizes in the triclinic P1 space group. Sr(1) is bonded in a 3-coordinate geometry to two equivalent Nb(1), two equivalent Nb(2), and one Cd(1) atom. There is one shorter (2.93 Å) and one longer (3.81 Å) Sr(1)-Nb(1) bond length. There is one shorter (1.23 Å) and one longer (1.87 Å) Sr(1)-Nb(2) bond length. The Sr(1)-Cd(1) bond length is 1.48 Å. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Nb(1), and two equivalent Cd(1) atoms. Both Nb(1)-Nb(1) bond lengths are 3.10 Å. There is one shorter (2.63 Å) and one longer (2.88 Å) Nb(1)-Cd(1) bond length. In the second Nb site, Nb(2) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one Cd(1) atom. The Nb(2)-Cd(1) bond length is 1.63 Å. Cd(1) is bonded in a distorted single-bond geometry to one Sr(1), one Nb(2), and two equivalent Nb(1) atoms.