data_CaCdMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   9.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCdMo2
_chemical_formula_sum   'Ca1 Cd1 Mo2'
_cell_volume   76.25
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.0  0.96  1.0
  Mo  Mo2  1  0.87  0.0  0.29  1.0
  Mo  Mo3  1  0.87  0.0  0.62  1.0

data_CaCdMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   9.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCdMo2
_chemical_formula_sum   'Ca1 Cd1 Mo2'
_cell_volume   76.25
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.0  0.96  1.0
  Mo  Mo2  1  0.87  0.0  0.29  1.0
  Mo  Mo3  1  0.87  0.0  0.62  1.0

Ca Cd Mo Mo
CaMo2Cd crystallizes in the triclinic P1 space group. Ca(1) is bonded in a single-bond geometry to one Mo(1) and one Cd(1) atom. The Ca(1)-Mo(1) bond length is 2.92 Å. The Ca(1)-Cd(1) bond length is 0.44 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a distorted single-bond geometry to one Ca(1) and one Mo(2) atom. The Mo(1)-Mo(2) bond length is 3.25 Å. In the second Mo site, Mo(2) is bonded to one Mo(1), four equivalent Mo(2), and one Cd(1) atom to form a mixture of distorted corner and edge-sharing MoCdMo5 octahedra. The corner-sharing octahedra are not tilted. All Mo(2)-Mo(2) bond lengths are 2.78 Å. The Mo(2)-Cd(1) bond length is 3.35 Å. Cd(1) is bonded in a single-bond geometry to one Ca(1) and one Mo(2) atom.