data_Mn2CdRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   2.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CdRu
_chemical_formula_sum   'Mn2 Cd1 Ru1'
_cell_volume   60.97
_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  Mn1  1  0.48  0.25  0.47  1.0
  Mn  Mn2  1  0.48  0.75  0.47  1.0
  Cd  Cd0  1  0.96  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_Mn2CdRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.58
_cell_length_c   4.58
_cell_angle_alpha   99.47
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CdRu
_chemical_formula_sum   'Mn2 Cd1 Ru1'
_cell_volume   60.97
_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  0.47  0.48  0.75  1.0
  Mn  Mn1  1  0.47  0.48  0.25  1.0
  Cd  Cd2  1  -0.0  0.96  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Mn Mn Cd Ru
Mn Mn Cd Ru 0 3 o o o 0 3 o o + 0 2 - o o 0 2 - o + 0 2 o o o 0 1 o o o 0 1 o - o 0 0 o o + 1 3 o + o 1 3 + + o 1 3 + + + 1 2 o + o 1 2 o + + 1 1 o o + 2 3 + o o 
Mn2RuCd crystallizes in the triclinic P1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 8-coordinate geometry to two equivalent Mn(1), two equivalent Mn(2), two equivalent Ru(1), and two equivalent Cd(1) atoms. Both Mn(1)-Mn(1) bond lengths are 2.95 Å. There is one shorter (2.27 Å) and one longer (2.31 Å) Mn(1)-Mn(2) bond length. There is one shorter (2.70 Å) and one longer (2.79 Å) Mn(1)-Ru(1) bond length. There is one shorter (2.99 Å) and one longer (3.07 Å) Mn(1)-Cd(1) bond length. In the second Mn site, Mn(2) is bonded in a 8-coordinate geometry to two equivalent Mn(1), two equivalent Mn(2), two equivalent Ru(1), and two equivalent Cd(1) atoms. Both Mn(2)-Mn(2) bond lengths are 2.95 Å. There is one shorter (2.99 Å) and one longer (3.07 Å) Mn(2)-Ru(1) bond length. There is one shorter (2.70 Å) and one longer (2.79 Å) Mn(2)-Cd(1) bond length. Ru(1) is bonded in a single-bond geometry to two equivalent Mn(1), two equivalent Mn(2), and one Cd(1) atom. The Ru(1)-Cd(1) bond length is 0.18 Å. Cd(1) is bonded in a single-bond geometry to two equivalent Mn(1), two equivalent Mn(2), and one Ru(1) atom.