data_MnCd2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   9.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCd2Sn
_chemical_formula_sum   'Mn1 Cd2 Sn1'
_cell_volume   86.18
_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
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.16  0.0  0.1  1.0
  Cd  Cd1  1  0.16  0.0  0.89  1.0
  Sn  Sn3  1  0.0  0.0  0.5  1.0

data_MnCd2Sn
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   3.1
_cell_length_b   9.0
_cell_length_c   3.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   MnCd2Sn
_chemical_formula_sum   'Mn1 Cd2 Sn1'
_cell_volume   86.22
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  '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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  2  0.0  0.1  0.16  1.0
  Sn  Sn2  1  0.0  0.5  0.0  1.0

Mn Cd Cd Sn
Mn Cd Cd Sn 0 2 o o - 0 1 o o o 1 3 o o o 2 3 o o o 3 3 o + o 3 3 + o o 
MnCd2Sn crystallizes in the monoclinic Pm space group. Mn(1) is bonded in a bent 120 degrees geometry to one Cd(1) and one Cd(2) atom. The Mn(1)-Cd(1) bond length is 1.03 Å. The Mn(1)-Cd(2) bond length is 1.07 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a single-bond geometry to one Mn(1) and one Sn(1) atom. The Cd(1)-Sn(1) bond length is 3.60 Å. In the second Cd site, Cd(2) is bonded in a single-bond geometry to one Mn(1) and one Sn(1) atom. The Cd(2)-Sn(1) bond length is 3.60 Å. Sn(1) is bonded to one Cd(1), one Cd(2), and four equivalent Sn(1) atoms to form a mixture of distorted edge and corner-sharing SnCd2Sn4 octahedra. The corner-sharing octahedra are not tilted. All Sn(1)-Sn(1) bond lengths are 3.10 Å.