data_ScCd2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   3.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCd2Mo
_chemical_formula_sum   'Sc1 Cd2 Mo1'
_cell_volume   77.25
_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
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.45  0.22  0.5  1.0
  Cd  Cd1  1  0.45  0.78  0.5  1.0
  Mo  Mo2  1  0.89  0.0  0.0  1.0

data_ScCd2Mo
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.3
_cell_length_b   3.0
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   113.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ScCd2Mo
_chemical_formula_sum   'Sc1 Cd2 Mo1'
_cell_volume   77.25
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.45  0.5  0.22  1.0
  Cd  Cd2  1  0.45  0.5  0.78  1.0
  Mo  Mo3  1  0.89  0.0  0.0  1.0

Sc Cd Cd Mo
ScMoCd2 crystallizes in the triclinic P1 space group. Sc(1) is bonded in a single-bond geometry to one Mo(1), two equivalent Cd(1), and two equivalent Cd(2) atoms. The Sc(1)-Mo(1) bond length is 0.57 Å. There is one shorter (2.64 Å) and one longer (2.65 Å) Sc(1)-Cd(1) bond length. There is one shorter (3.39 Å) and one longer (3.40 Å) Sc(1)-Cd(2) bond length. Mo(1) is bonded in a single-bond geometry to one Sc(1), two equivalent Cd(1), and two equivalent Cd(2) atoms. There is one shorter (3.39 Å) and one longer (3.40 Å) Mo(1)-Cd(1) bond length. There is one shorter (2.64 Å) and one longer (2.65 Å) Mo(1)-Cd(2) bond length. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 8-coordinate geometry to two equivalent Sc(1), two equivalent Mo(1), two equivalent Cd(1), and two equivalent Cd(2) atoms. Both Cd(1)-Cd(1) bond lengths are 3.00 Å. There is one shorter (2.36 Å) and one longer (2.94 Å) Cd(1)-Cd(2) bond length. In the second Cd site, Cd(2) is bonded in a 8-coordinate geometry to two equivalent Sc(1), two equivalent Mo(1), two equivalent Cd(1), and two equivalent Cd(2) atoms. Both Cd(2)-Cd(2) bond lengths are 3.00 Å.