data_Co2SnMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   6.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2SnMo
_chemical_formula_sum   'Co2 Sn1 Mo1'
_cell_volume   58.09
_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
  Co  Co0  1  0.0  0.0  0.58  1.0
  Co  Co1  1  0.05  0.0  0.15  1.0
  Sn  Sn3  1  0.05  0.0  0.5  1.0
  Mo  Mo2  1  0.0  0.0  0.64  1.0

data_Co2SnMo
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   6.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Co2SnMo
_chemical_formula_sum   'Co2 Sn1 Mo1'
_cell_volume   58.1
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Co  Co0  1  0.0  0.0  0.58  1.0
  Co  Co1  1  0.05  0.0  0.15  1.0
  Sn  Sn2  1  0.05  0.0  0.5  1.0
  Mo  Mo3  1  0.0  0.0  0.64  1.0

Co Co Sn Mo
MoCo2Sn crystallizes in the monoclinic Pm space group. Mo(1) is bonded in a single-bond geometry to one Co(1) and one Co(2) atom. The Mo(1)-Co(1) bond length is 0.42 Å. The Mo(1)-Co(2) bond length is 3.46 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted linear geometry to one Mo(1) and one Sn(1) atom. The Co(1)-Sn(1) bond length is 0.53 Å. In the second Co site, Co(2) is bonded to one Mo(1), four equivalent Co(2), and one Sn(1) atom to form a mixture of distorted corner and edge-sharing CoCo4SnMo octahedra. The corner-sharing octahedra are not tilted. All Co(2)-Co(2) bond lengths are 2.93 Å. The Co(2)-Sn(1) bond length is 2.36 Å. Sn(1) is bonded in a single-bond geometry to one Co(1) and one Co(2) atom.