data_BaCo2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   7.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCo2Mo
_chemical_formula_sum   'Ba1 Co2 Mo1'
_cell_volume   77.81
_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  0.62  0.62  0.75  1.0
  Co  Co1  1  0.0  0.0  0.63  1.0
  Co  Co2  1  0.62  0.62  0.92  1.0
  Mo  Mo3  1  0.0  0.0  0.85  1.0

data_BaCo2Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   7.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaCo2Mo
_chemical_formula_sum   'Ba2 Co4 Mo2'
_cell_volume   155.63
_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  0.12  0.5  0.75  1.0
  Co  Co1  2  0.0  0.0  0.63  1.0
  Co  Co2  2  0.12  0.5  0.92  1.0
  Mo  Mo3  2  0.0  0.0  0.85  1.0

Ba Co Co Mo
BaMoCo2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BaMoCo2 clusters. Ba(1) is bonded in a distorted single-bond geometry to one Mo(1), one Co(1), and one Co(2) atom. The Ba(1)-Mo(1) bond length is 1.88 Å. The Ba(1)-Co(1) bond length is 1.96 Å. The Ba(1)-Co(2) bond length is 1.26 Å. Mo(1) is bonded in a 2-coordinate geometry to one Ba(1) and one Co(1) atom. The Mo(1)-Co(1) bond length is 1.59 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 2-coordinate geometry to one Ba(1) and one Mo(1) atom. In the second Co site, Co(2) is bonded in a single-bond geometry to one Ba(1) atom.