data_Y2ScGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   5.76
_cell_angle_alpha   133.29
_cell_angle_beta   133.29
_cell_angle_gamma   68.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ScGa
_chemical_formula_sum   'Y2 Sc1 Ga1'
_cell_volume   99.49
_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
  Y  Y2  1  0.0  0.28  0.38  1.0
  Y  Y3  1  0.28  0.0  0.38  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.0  0.0  0.77  1.0

data_Y2ScGa
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.46
_cell_length_b   6.46
_cell_length_c   5.76
_cell_angle_alpha   90.0
_cell_angle_beta   124.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2ScGa
_chemical_formula_sum   'Y4 Sc2 Ga2'
_cell_volume   198.98
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Y  Y0  4  0.36  0.36  0.1  1.0
  Sc  Sc1  2  0.0  0.0  0.0  1.0
  Ga  Ga2  2  0.0  0.0  0.77  1.0

Y Y Sc Ga
Y Y Sc Ga 0 2 o o o 0 1 o o o 1 2 o o o 2 3 o o - 
Y2ScGa crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Y2ScGa clusters. Y(1) is bonded in a distorted single-bond geometry to one Sc(1) atom. The Y(1)-Sc(1) bond length is 1.62 Å. Sc(1) is bonded in a 3-coordinate geometry to two equivalent Y(1) and one Ga(1) atom. The Sc(1)-Ga(1) bond length is 1.33 Å. Ga(1) is bonded in a single-bond geometry to one Sc(1) atom.