data_Zr2MnSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.26
_cell_length_c   7.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2MnSb
_chemical_formula_sum   'Zr2 Mn1 Sb1'
_cell_volume   78.1
_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  Zr2  1  0.0  0.0  0.27  1.0
  Zr  Zr3  1  0.63  0.63  0.17  1.0
  Mn  Mn0  1  0.0  0.0  0.76  1.0
  Sb  Sb1  1  0.63  0.63  0.16  1.0

data_Zr2MnSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   7.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2MnSb
_chemical_formula_sum   'Zr4 Mn2 Sb2'
_cell_volume   156.2
_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  0.27  1.0
  Zr  Zr1  2  0.13  0.5  0.17  1.0
  Mn  Mn2  2  0.0  0.0  0.76  1.0
  Sb  Sb3  2  0.13  0.5  0.16  1.0

Zr Zr Mn Sb
Zr2MnSb crystallizes in the monoclinic Cm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 7-coordinate geometry to three equivalent Zr(2), one Mn(1), and three equivalent Sb(1) atoms. There is one shorter (1.86 Å) and two longer (2.50 Å) Zr(1)-Zr(2) bond lengths. The Zr(1)-Mn(1) bond length is 3.59 Å. There is one shorter (1.86 Å) and two longer (2.50 Å) Zr(1)-Sb(1) bond lengths. In the second Zr site, Zr(2) is bonded in a single-bond geometry to three equivalent Zr(1) and one Sb(1) atom. The Zr(2)-Sb(1) bond length is 0.01 Å. Mn(1) is bonded in a 6-coordinate geometry to one Zr(1), four equivalent Mn(1), and one Sb(1) atom. All Mn(1)-Mn(1) bond lengths are 3.26 Å. The Mn(1)-Sb(1) bond length is 3.45 Å. Sb(1) is bonded in a single-bond geometry to one Zr(2), three equivalent Zr(1), and one Mn(1) atom.