data_ZrMn2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   3.43
_cell_length_c   5.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMn2Sb
_chemical_formula_sum   'Zr1 Mn2 Sb1'
_cell_volume   70.17
_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
  Zr  Zr3  1  0.0  0.0  0.65  1.0
  Mn  Mn0  1  0.71  0.71  0.09  1.0
  Mn  Mn1  1  0.0  0.0  0.43  1.0
  Sb  Sb2  1  0.71  0.71  0.79  1.0

data_ZrMn2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   5.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrMn2Sb
_chemical_formula_sum   'Zr2 Mn4 Sb2'
_cell_volume   140.33
_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
  Zr  Zr0  2  0.0  0.0  0.65  1.0
  Mn  Mn1  2  0.0  0.0  0.43  1.0
  Mn  Mn2  2  0.21  0.5  0.09  1.0
  Sb  Sb3  2  0.21  0.5  0.79  1.0

Zr Mn Mn Sb
Zr Mn Mn Sb 0 2 o o o 0 3 - - o 1 3 o o - 
ZrMn2Sb crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ZrMn2Sb clusters. Zr(1) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one Sb(1) atom. The Zr(1)-Mn(2) bond length is 1.32 Å. The Zr(1)-Sb(1) bond length is 1.63 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a single-bond geometry to one Sb(1) atom. The Mn(1)-Sb(1) bond length is 1.77 Å. In the second Mn site, Mn(2) is bonded in a single-bond geometry to one Zr(1) atom. Sb(1) is bonded in a 2-coordinate geometry to one Zr(1) and one Mn(1) atom.