data_SrMg2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71
_cell_length_b   5.1
_cell_length_c   6.36
_cell_angle_alpha   90.0
_cell_angle_beta   102.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMg2Cd
_chemical_formula_sum   'Sr1 Mg2 Cd1'
_cell_volume   117.7
_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
  Mg  Mg1  1  0.36  0.55  0.44  1.0
  Mg  Mg2  1  0.02  0.55  0.78  1.0
  Cd  Cd0  1  0.19  0.0  0.11  1.0

data_SrMg2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   5.1
_cell_length_c   6.36
_cell_angle_alpha   90.0
_cell_angle_beta   102.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMg2Cd
_chemical_formula_sum   'Sr1 Mg2 Cd1'
_cell_volume   117.7
_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
  Mg  Mg1  1  0.02  0.55  0.78  1.0
  Mg  Mg2  1  0.36  0.55  0.44  1.0
  Cd  Cd3  1  0.19  0.0  0.11  1.0

Sr Mg Mg Cd
Sr Mg Mg Cd 0 3 o o o 0 2 o o - 0 2 o - - 1 3 o o o 1 3 o + o 1 2 o o o 1 2 + o o 2 3 o + + 
SrMg2Cd crystallizes in the triclinic P1 space group. Sr(1) is bonded in a single-bond geometry to two equivalent Mg(2) and one Cd(1) atom. There is one shorter (2.69 Å) and one longer (3.12 Å) Sr(1)-Mg(2) bond length. The Sr(1)-Cd(1) bond length is 0.90 Å. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2) and two equivalent Cd(1) atoms to form distorted corner-sharing MgMg2Cd2 tetrahedra. There is one shorter (2.76 Å) and one longer (2.93 Å) Mg(1)-Mg(2) bond length. There is one shorter (3.08 Å) and one longer (3.46 Å) Mg(1)-Cd(1) bond length. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Mg(1) atoms. Cd(1) is bonded in a single-bond geometry to one Sr(1) and two equivalent Mg(1) atoms.