data_CaSnMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   6.65
_cell_angle_alpha   97.31
_cell_angle_beta   97.31
_cell_angle_gamma   41.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSnMo2
_chemical_formula_sum   'Ca1 Sn1 Mo2'
_cell_volume   90.07
_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  0.19  0.0  0.56  1.0
  Sn  Sn3  1  0.83  0.0  0.67  1.0
  Mo  Mo1  1  0.51  0.0  0.07  1.0
  Mo  Mo2  1  0.46  0.0  0.16  1.0

data_CaSnMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.54
_cell_length_c   6.65
_cell_angle_alpha   97.31
_cell_angle_beta   90.0
_cell_angle_gamma   110.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSnMo2
_chemical_formula_sum   'Ca1 Sn1 Mo2'
_cell_volume   90.07
_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  0.81  0.44  1.0
  Sn  Sn1  1  0.0  0.17  0.33  1.0
  Mo  Mo2  1  0.0  0.49  0.93  1.0
  Mo  Mo3  1  0.0  0.54  0.84  1.0

Ca Sn Mo Mo
CaMo2Sn crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CaMo2Sn cluster. Ca(1) is bonded in a distorted single-bond geometry to one Mo(2) and one Sn(1) atom. The Ca(1)-Mo(2) bond length is 3.12 Å. The Ca(1)-Sn(1) bond length is 1.85 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a distorted single-bond geometry to one Mo(2) atom. The Mo(1)-Mo(2) bond length is 0.64 Å. In the second Mo site, Mo(2) is bonded in a distorted linear geometry to one Ca(1) and one Mo(1) atom. Sn(1) is bonded in a distorted single-bond geometry to one Ca(1) atom.