data_YGeSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGeSb2
_chemical_formula_sum   'Y1 Ge1 Sb2'
_cell_volume   108.87
_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  Y3  1  0.07  0.07  0.89  1.0
  Ge  Ge0  1  0.0  0.0  0.95  1.0
  Sb  Sb1  1  0.07  0.07  0.91  1.0
  Sb  Sb2  1  0.0  0.0  0.13  1.0

data_YGeSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YGeSb2
_chemical_formula_sum   'Y2 Ge2 Sb4'
_cell_volume   217.75
_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  2  0.07  0.0  0.89  1.0
  Ge  Ge1  2  0.0  0.0  0.95  1.0
  Sb  Sb2  2  0.0  0.0  0.13  1.0
  Sb  Sb3  2  0.07  0.0  0.91  1.0

Y Ge Sb Sb
Y Ge Sb Sb 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o + 
YGeSb2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two YGeSb2 clusters. Y(1) is bonded in a single-bond geometry to one Sb(1) atom. The Y(1)-Sb(1) bond length is 0.13 Å. Ge(1) is bonded in a distorted single-bond geometry to one Sb(1) and one Sb(2) atom. The Ge(1)-Sb(1) bond length is 0.48 Å. The Ge(1)-Sb(2) bond length is 1.17 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted bent 120 degrees geometry to one Y(1) and one Ge(1) atom. In the second Sb site, Sb(2) is bonded in a single-bond geometry to one Ge(1) atom.