data_ScMo2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   2.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   124.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMo2Cl
_chemical_formula_sum   'Sc1 Mo2 Cl1'
_cell_volume   70.43
_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
  Sc  Sc3  1  0.51  0.0  0.0  1.0
  Mo  Mo1  1  0.26  0.41  0.45  1.0
  Mo  Mo2  1  0.26  0.59  0.45  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_ScMo2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   5.02
_cell_length_c   5.44
_cell_angle_alpha   117.51
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMo2Cl
_chemical_formula_sum   'Sc1 Mo2 Cl1'
_cell_volume   70.43
_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
  Sc  Sc0  1  0.0  0.0  0.51  1.0
  Mo  Mo1  1  0.45  0.41  0.67  1.0
  Mo  Mo2  1  0.45  0.59  0.84  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Sc Mo Mo Cl
ScMo2Cl crystallizes in the triclinic P1 space group. Sc(1) is bonded in a rectangular see-saw-like geometry to two equivalent Mo(2) and two equivalent Cl(1) atoms. There is one shorter (2.26 Å) and one longer (2.42 Å) Sc(1)-Mo(2) bond length. There is one shorter (2.66 Å) and one longer (2.77 Å) Sc(1)-Cl(1) bond length. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 3-coordinate geometry to one Mo(2) and two equivalent Cl(1) atoms. The Mo(1)-Mo(2) bond length is 0.98 Å. There is one shorter (2.26 Å) and one longer (2.42 Å) Mo(1)-Cl(1) bond length. In the second Mo site, Mo(2) is bonded in a 3-coordinate geometry to two equivalent Sc(1) and one Mo(1) atom. Cl(1) is bonded in a rectangular see-saw-like geometry to two equivalent Sc(1) and two equivalent Mo(1) atoms.