data_BaCd2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   5.67
_cell_angle_alpha   128.78
_cell_angle_beta   128.78
_cell_angle_gamma   75.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCd2Mo
_chemical_formula_sum   'Ba1 Cd2 Mo1'
_cell_volume   108.06
_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  0.0  0.0  0.49  1.0
  Cd  Cd1  1  0.0  0.45  0.25  1.0
  Cd  Cd2  1  0.45  0.0  0.25  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

data_BaCd2Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.94
_cell_length_b   6.94
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   127.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaCd2Mo
_chemical_formula_sum   'Ba2 Cd4 Mo2'
_cell_volume   216.12
_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  0.01  0.5  0.51  1.0
  Cd  Cd1  4  0.48  0.27  0.21  1.0
  Mo  Mo2  2  0.0  0.0  0.0  1.0

Ba Cd Cd Mo
BaMoCd2 crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 4-coordinate geometry to two equivalent Mo(1) and two equivalent Cd(1) atoms. There is one shorter (2.79 Å) and one longer (2.89 Å) Ba(1)-Mo(1) bond length. Both Ba(1)-Cd(1) bond lengths are 2.48 Å. Mo(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent Cd(1) atoms. Both Mo(1)-Cd(1) bond lengths are 2.01 Å. Cd(1) is bonded in a distorted linear geometry to one Ba(1) and one Mo(1) atom.