data_KSc2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   4.87
_cell_length_c   8.07
_cell_angle_alpha   90.0
_cell_angle_beta   97.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSc2Mo
_chemical_formula_sum   'K1 Sc2 Mo1'
_cell_volume   118.12
_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
  K  K0  1  0.91  0.0  0.17  1.0
  Sc  Sc2  1  0.91  0.0  0.64  1.0
  Sc  Sc3  1  0.12  0.44  0.23  1.0
  Mo  Mo1  1  0.89  0.44  0.94  1.0

data_KSc2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.87
_cell_length_c   8.07
_cell_angle_alpha   90.0
_cell_angle_beta   97.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSc2Mo
_chemical_formula_sum   'K1 Sc2 Mo1'
_cell_volume   118.12
_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
  K  K0  1  0.91  0.0  0.17  1.0
  Sc  Sc1  1  0.12  0.44  0.23  1.0
  Sc  Sc2  1  0.91  0.0  0.64  1.0
  Mo  Mo3  1  0.89  0.44  0.94  1.0

K Sc Sc Mo
KSc2Mo crystallizes in the triclinic P1 space group. K(1) is bonded in a 1-coordinate geometry to one Sc(1) and two equivalent Sc(2) atoms. The K(1)-Sc(1) bond length is 3.74 Å. There is one shorter (2.26 Å) and one longer (2.84 Å) K(1)-Sc(2) bond length. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 5-coordinate geometry to one K(1), two equivalent Sc(1), and two equivalent Mo(1) atoms. Both Sc(1)-Sc(1) bond lengths are 3.03 Å. There is one shorter (3.25 Å) and one longer (3.68 Å) Sc(1)-Mo(1) bond length. In the second Sc site, Sc(2) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Mo(1) atom. The Sc(2)-Mo(1) bond length is 2.37 Å. Mo(1) is bonded in a 1-coordinate geometry to one Sc(2) and two equivalent Sc(1) atoms.