data_Ba2CoMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.04
_cell_length_b   8.04
_cell_length_c   8.04
_cell_angle_alpha   155.07
_cell_angle_beta   152.42
_cell_angle_gamma   37.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CoMo
_chemical_formula_sum   'Ba2 Co1 Mo1'
_cell_volume   101.14
_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  0.92  0.17  1.0
  Ba  Ba1  1  0.73  0.0  0.44  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.61  1.0

data_Ba2CoMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   3.83
_cell_length_c   8.04
_cell_angle_alpha   103.79
_cell_angle_beta   102.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CoMo
_chemical_formula_sum   'Ba2 Co1 Mo1'
_cell_volume   101.14
_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  0.29  0.56  0.29  1.0
  Ba  Ba1  1  0.83  0.75  0.75  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.39  0.39  0.39  1.0

Ba Ba Co Mo
Ba Ba Co Mo 0 2 o + o 1 3 + o o 
Ba2MoCo crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ba2MoCo cluster. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 2-coordinate geometry to one Mo(1) and one Co(1) atom. The Ba(1)-Mo(1) bond length is 2.95 Å. The Ba(1)-Co(1) bond length is 1.98 Å. In the second Ba site, Ba(2) is bonded in a single-bond geometry to one Mo(1) atom. The Ba(2)-Mo(1) bond length is 1.13 Å. Mo(1) is bonded in a single-bond geometry to one Ba(1) and one Ba(2) atom. Co(1) is bonded in a 1-coordinate geometry to one Ba(1) atom.