data_MnCd2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   6.36
_cell_angle_alpha   151.62
_cell_angle_beta   131.19
_cell_angle_gamma   57.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCd2Bi
_chemical_formula_sum   'Mn1 Cd2 Bi1'
_cell_volume   91.44
_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  Mn3  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.56  0.0  0.45  1.0
  Cd  Cd2  1  0.0  0.63  0.13  1.0
  Bi  Bi0  1  0.0  0.0  0.58  1.0

data_MnCd2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   5.26
_cell_length_c   6.36
_cell_angle_alpha   114.41
_cell_angle_beta   104.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCd2Bi
_chemical_formula_sum   'Mn1 Cd2 Bi1'
_cell_volume   91.44
_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  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.11  0.55  0.11  1.0
  Cd  Cd2  1  0.87  0.5  0.5  1.0
  Bi  Bi3  1  0.42  0.42  0.42  1.0

Mn Cd Cd Bi
MnCd2Bi crystallizes in the triclinic P1 space group. Mn(1) is bonded in a 6-coordinate geometry to two equivalent Mn(1), one Cd(2), two equivalent Cd(1), and one Bi(1) atom. Both Mn(1)-Mn(1) bond lengths are 3.12 Å. The Mn(1)-Cd(2) bond length is 3.10 Å. There is one shorter (2.67 Å) and one longer (2.73 Å) Mn(1)-Cd(1) bond length. The Mn(1)-Bi(1) bond length is 2.68 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one Bi(1) atom. The Cd(1)-Bi(1) bond length is 2.35 Å. In the second Cd site, Cd(2) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and two equivalent Bi(1) atoms. There is one shorter (1.37 Å) and one longer (1.90 Å) Cd(2)-Bi(1) bond length. Bi(1) is bonded in a 4-coordinate geometry to one Mn(1), one Cd(1), and two equivalent Cd(2) atoms.