data_Sr2ZrCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.55
_cell_length_b   11.55
_cell_length_c   11.55
_cell_angle_alpha   18.68
_cell_angle_beta   18.68
_cell_angle_gamma   18.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ZrCd
_chemical_formula_sum   'Sr2 Zr1 Cd1'
_cell_volume   138.05
_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  Sr1  1  0.0  0.0  0.58  1.0
  Sr  Sr2  1  0.0  0.0  0.88  1.0
  Zr  Zr3  1  0.0  0.0  0.4  1.0
  Cd  Cd0  1  0.0  0.0  0.23  1.0

data_Sr2ZrCd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.49
_cell_length_b   3.75
_cell_length_c   11.55
_cell_angle_alpha   90.0
_cell_angle_beta   100.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2ZrCd
_chemical_formula_sum   'Sr4 Zr2 Cd2'
_cell_volume   276.1
_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
  Sr  Sr0  2  0.0  0.0  0.12  1.0
  Sr  Sr1  2  0.0  0.0  0.42  1.0
  Zr  Zr2  2  0.0  0.0  0.6  1.0
  Cd  Cd3  2  0.0  0.0  0.77  1.0

Sr Sr Zr Cd
Sr2ZrCd crystallizes in the monoclinic Cm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a single-bond geometry to one Sr(2) and one Zr(1) atom. The Sr(1)-Sr(2) bond length is 3.51 Å. The Sr(1)-Zr(1) bond length is 2.09 Å. In the second Sr site, Sr(2) is bonded to one Sr(1), six equivalent Sr(2), and one Cd(1) atom to form a mixture of distorted corner and edge-sharing SrSr7Cd hexagonal bipyramids. All Sr(2)-Sr(2) bond lengths are 3.75 Å. The Sr(2)-Cd(1) bond length is 3.97 Å. Zr(1) is bonded in a linear geometry to one Sr(1) and one Cd(1) atom. The Zr(1)-Cd(1) bond length is 1.98 Å. Cd(1) is bonded in a single-bond geometry to one Sr(2) and one Zr(1) atom.