data_CaCoMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   4.8
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   101.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCoMo2
_chemical_formula_sum   'Ca1 Co1 Mo2'
_cell_volume   66.24
_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
  Co  Co1  1  0.85  0.0  0.52  1.0
  Mo  Mo2  1  0.96  0.4  0.72  1.0
  Mo  Mo3  1  0.75  0.4  0.32  1.0

data_CaCoMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.8
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   101.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCoMo2
_chemical_formula_sum   'Ca1 Co1 Mo2'
_cell_volume   66.24
_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
  Co  Co1  1  0.85  0.0  0.52  1.0
  Mo  Mo2  1  0.75  0.4  0.32  1.0
  Mo  Mo3  1  0.96  0.4  0.72  1.0

Ca Co Mo Mo
Ca Co Mo Mo 0 2 - o - 0 1 - o - 0 1 - o o 0 3 - o o 0 3 o o o 0 0 + o o 1 3 o o o 1 2 o o o 2 3 o o o 
CaMo2Co crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 4-coordinate geometry to one Mo(1), one Mo(2), and three equivalent Co(1) atoms. The Ca(1)-Mo(1) bond length is 2.39 Å. The Ca(1)-Mo(2) bond length is 2.69 Å. There are a spread of Ca(1)-Co(1) bond distances ranging from 2.43-3.17 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 2-coordinate geometry to one Ca(1), one Mo(2), and two equivalent Co(1) atoms. The Mo(1)-Mo(2) bond length is 2.03 Å. There is one shorter (2.17 Å) and one longer (3.05 Å) Mo(1)-Co(1) bond length. In the second Mo site, Mo(2) is bonded in a 3-coordinate geometry to one Ca(1), one Mo(1), and two equivalent Co(1) atoms. There is one shorter (2.17 Å) and one longer (3.05 Å) Mo(2)-Co(1) bond length. Co(1) is bonded in a 9-coordinate geometry to three equivalent Ca(1), two equivalent Mo(1), two equivalent Mo(2), and two equivalent Co(1) atoms. Both Co(1)-Co(1) bond lengths are 2.74 Å.