data_BaMn2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   3.13
_cell_length_c   8.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMn2Cd
_chemical_formula_sum   'Ba1 Mn2 Cd1'
_cell_volume   80.79
_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
  Ba  Ba0  1  0.56  0.56  0.9  1.0
  Mn  Mn2  1  0.56  0.56  0.45  1.0
  Mn  Mn3  1  0.0  0.0  0.27  1.0
  Cd  Cd1  1  0.0  0.0  0.78  1.0

data_BaMn2Cd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   8.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaMn2Cd
_chemical_formula_sum   'Ba2 Mn4 Cd2'
_cell_volume   161.59
_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
  Ba  Ba0  2  0.06  0.5  0.9  1.0
  Mn  Mn1  2  0.0  0.0  0.27  1.0
  Mn  Mn2  2  0.06  0.5  0.45  1.0
  Cd  Cd3  2  0.0  0.0  0.78  1.0

Ba Mn Mn Cd
Ba Mn Mn Cd 0 3 o o o 0 3 o + o 0 3 + o o 0 3 + + o 1 2 o o o 1 2 o + o 1 2 + o o 1 2 + + o 1 1 + o o 1 1 o + o 2 2 + o o 2 2 o + o 
BaMn2Cd crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 4-coordinate geometry to one Mn(1), four equivalent Mn(2), and four equivalent Cd(1) atoms. The Ba(1)-Mn(1) bond length is 3.73 Å. There are a spread of Ba(1)-Mn(2) bond distances ranging from 3.62-3.94 Å. There are a spread of Ba(1)-Cd(1) bond distances ranging from 2.20-2.70 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 13-coordinate geometry to one Ba(1), four equivalent Mn(1), four equivalent Mn(2), and four equivalent Cd(1) atoms. All Mn(1)-Mn(1) bond lengths are 3.13 Å. There are a spread of Mn(1)-Mn(2) bond distances ranging from 2.44-2.90 Å. There are a spread of Mn(1)-Cd(1) bond distances ranging from 3.30-3.65 Å. In the second Mn site, Mn(2) is bonded to four equivalent Ba(1), four equivalent Mn(1), and four equivalent Mn(2) atoms to form a mixture of distorted corner and face-sharing MnBa4Mn8 cuboctahedra. All Mn(2)-Mn(2) bond lengths are 3.13 Å. Cd(1) is bonded in a 4-coordinate geometry to four equivalent Ba(1) and four equivalent Mn(1) atoms.