data_MnCd2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   142.96
_cell_angle_beta   130.78
_cell_angle_gamma   63.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCd2Si
_chemical_formula_sum   'Mn1 Cd2 Si1'
_cell_volume   72.25
_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  0.26  0.28  1.0
  Cd  Cd0  1  0.0  0.26  0.51  1.0
  Cd  Cd1  1  0.0  0.0  0.51  1.0
  Si  Si3  1  0.0  0.0  0.59  1.0

data_MnCd2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.52
_cell_length_c   5.43
_cell_angle_alpha   114.61
_cell_angle_beta   108.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCd2Si
_chemical_formula_sum   'Mn1 Cd2 Si1'
_cell_volume   72.25
_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  Mn0  1  0.74  0.02  0.02  1.0
  Cd  Cd1  1  0.0  0.51  0.51  1.0
  Cd  Cd2  1  0.74  0.25  0.25  1.0
  Si  Si3  1  0.0  0.59  0.59  1.0

Mn Cd Cd Si
Mn Cd Cd Si 0 1 o o o 1 2 o o o 2 3 o o o 
MnCd2Si crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MnCd2Si cluster. Mn(1) is bonded in a distorted single-bond geometry to one Cd(1) atom. The Mn(1)-Cd(1) bond length is 1.28 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one Cd(2) atom. The Cd(1)-Cd(2) bond length is 1.38 Å. In the second Cd site, Cd(2) is bonded in a distorted single-bond geometry to one Cd(1) and one Si(1) atom. The Cd(2)-Si(1) bond length is 0.44 Å. Si(1) is bonded in a single-bond geometry to one Cd(2) atom.