data_YbMnSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.65
_cell_length_b   10.65
_cell_length_c   10.65
_cell_angle_alpha   156.16
_cell_angle_beta   156.16
_cell_angle_gamma   33.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbMnSb2
_chemical_formula_sum   'Yb2 Mn2 Sb4'
_cell_volume   197.14
_cell_formula_units_Z   2
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
  Yb  Yb0  1  0.0  0.0  0.91  1.0
  Yb  Yb1  1  0.0  0.0  0.46  1.0
  Mn  Mn2  1  0.2  0.0  0.09  1.0
  Mn  Mn3  1  0.0  0.2  0.09  1.0
  Sb  Sb4  1  0.0  0.0  0.74  1.0
  Sb  Sb5  1  0.0  0.0  0.64  1.0
  Sb  Sb6  1  0.2  0.0  0.0  1.0
  Sb  Sb7  1  0.0  0.2  0.0  1.0

data_YbMnSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   10.65
_cell_angle_alpha   90.0
_cell_angle_beta   106.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YbMnSb2
_chemical_formula_sum   'Yb4 Mn4 Sb8'
_cell_volume   394.28
_cell_formula_units_Z   4
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
  Yb  Yb0  2  0.41  0.5  0.91  1.0
  Yb  Yb1  2  0.46  0.0  0.46  1.0
  Mn  Mn2  4  0.49  0.4  0.89  1.0
  Sb  Sb3  4  0.4  0.4  0.8  1.0
  Sb  Sb4  2  0.14  0.5  0.64  1.0
  Sb  Sb5  2  0.24  0.5  0.74  1.0

Yb Yb Mn Mn Sb Sb Sb Sb
Yb Yb Mn Mn Sb Sb Sb Sb 0 3 o o + 0 2 o o + 1 5 o o o 2 6 o o o 3 7 o o o 4 7 o o + 4 5 o o o 4 6 o o + 6 7 o o o 
YbMnSb2 is alpha Niobium phosphide-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two YbMnSb2 clusters. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 4-coordinate geometry to two equivalent Mn(1) and two equivalent Sb(3) atoms. Both Yb(1)-Mn(1) bond lengths are 0.86 Å. Both Yb(1)-Sb(3) bond lengths are 1.32 Å. In the second Yb site, Yb(2) is bonded in a single-bond geometry to one Sb(2) atom. The Yb(2)-Sb(2) bond length is 1.85 Å. Mn(1) is bonded in an L-shaped geometry to one Yb(1) and one Sb(3) atom. The Mn(1)-Sb(3) bond length is 0.99 Å. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 3-coordinate geometry to one Sb(2) and two equivalent Sb(3) atoms. The Sb(1)-Sb(2) bond length is 1.07 Å. Both Sb(1)-Sb(3) bond lengths are 1.21 Å. In the second Sb site, Sb(2) is bonded in a linear geometry to one Yb(2) and one Sb(1) atom. In the third Sb site, Sb(3) is bonded in a distorted single-bond geometry to one Yb(1), one Mn(1), and one Sb(1) atom.