data_ScIn2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   9.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScIn2Mo
_chemical_formula_sum   'Sc1 In2 Mo1'
_cell_volume   81.54
_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  0.0  0.0  0.0  1.0
  In  In0  1  0.9  0.0  0.43  1.0
  In  In1  1  0.9  0.0  0.78  1.0
  Mo  Mo2  1  0.0  0.0  0.6  1.0

data_ScIn2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   9.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScIn2Mo
_chemical_formula_sum   'Sc1 In2 Mo1'
_cell_volume   81.54
_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  0.0  1.0
  In  In1  1  0.9  0.0  0.43  1.0
  In  In2  1  0.9  0.0  0.78  1.0
  Mo  Mo3  1  0.0  0.0  0.6  1.0

Sc In In Mo
ScMoIn2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ScMoIn2 cluster. Sc(1) is bonded in a single-bond geometry to one In(2) atom. The Sc(1)-In(2) bond length is 2.06 Å. Mo(1) is bonded in a bent 150 degrees geometry to one In(1) and one In(2) atom. The Mo(1)-In(1) bond length is 1.64 Å. The Mo(1)-In(2) bond length is 1.64 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a single-bond geometry to one Mo(1) atom. In the second In site, In(2) is bonded in a distorted bent 150 degrees geometry to one Sc(1) and one Mo(1) atom.