data_Mg2CdSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.24
_cell_length_b   9.24
_cell_length_c   9.24
_cell_angle_alpha   19.99
_cell_angle_beta   19.99
_cell_angle_gamma   19.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CdSi
_chemical_formula_sum   'Mg2 Cd1 Si1'
_cell_volume   80.72
_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
  Mg  Mg1  1  0.0  0.0  0.95  1.0
  Mg  Mg2  1  0.0  0.0  0.22  1.0
  Cd  Cd0  1  0.0  0.0  0.58  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_Mg2CdSi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.56
_cell_length_b   3.21
_cell_length_c   9.24
_cell_angle_alpha   90.0
_cell_angle_beta   101.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg2CdSi
_chemical_formula_sum   'Mg4 Cd2 Si2'
_cell_volume   161.43
_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
  Mg  Mg0  2  0.0  0.0  0.05  1.0
  Mg  Mg1  2  0.0  0.0  0.78  1.0
  Cd  Cd2  2  0.0  0.0  0.42  1.0
  Si  Si3  2  0.0  0.0  0.0  1.0

Mg Mg Cd Si
Mg2CdSi crystallizes in the monoclinic Cm space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a single-bond geometry to one Cd(1) and one Si(1) atom. The Mg(1)-Cd(1) bond length is 3.40 Å. The Mg(1)-Si(1) bond length is 0.45 Å. In the second Mg site, Mg(2) is bonded in a single-bond geometry to one Cd(1) and one Si(1) atom. The Mg(2)-Cd(1) bond length is 3.40 Å. The Mg(2)-Si(1) bond length is 1.99 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one Mg(1); one Mg(2); and six Cd(1,1) atoms to form a mixture of distorted edge and corner-sharing CdMg2Cd6 hexagonal bipyramids. All Cd(1)-Cd(1,1) bond lengths are 3.21 Å. In the second Cd site, Cd(1) is bonded to one Mg(1); one Mg(2); and six Cd(1,1) atoms to form a mixture of distorted edge and corner-sharing CdMg2Cd6 hexagonal bipyramids. The Cd(1)-Mg(1) bond length is 3.40 Å. The Cd(1)-Mg(2) bond length is 3.40 Å. Both Cd(1)-Cd(1) bond lengths are 3.21 Å. Si(1) is bonded in a distorted single-bond geometry to one Mg(1) and one Mg(2) atom.