data_Zr2MnZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2MnZn
_chemical_formula_sum   'Zr2 Mn1 Zn1'
_cell_volume   67.38
_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  0.22  1.0
  Zr  Zr3  1  0.13  0.0  0.98  1.0
  Mn  Mn0  1  0.0  0.0  0.36  1.0
  Zn  Zn1  1  0.13  0.0  0.04  1.0

data_Zr2MnZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2MnZn
_chemical_formula_sum   'Zr2 Mn1 Zn1'
_cell_volume   67.38
_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  Zr0  1  0.0  0.0  0.22  1.0
  Zr  Zr1  1  0.13  0.0  0.98  1.0
  Mn  Mn2  1  0.0  0.0  0.36  1.0
  Zn  Zn3  1  0.13  0.0  0.04  1.0

Zr Zr Mn Zn
Zr Zr Mn Zn 0 2 o o o 1 3 o o + 
Zr2MnZn crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Zr2MnZn cluster. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted linear geometry to one Mn(1) and one Zn(1) atom. The Zr(1)-Mn(1) bond length is 0.97 Å. The Zr(1)-Zn(1) bond length is 1.37 Å. In the second Zr site, Zr(2) is bonded in a single-bond geometry to one Zn(1) atom. The Zr(2)-Zn(1) bond length is 0.39 Å. Mn(1) is bonded in a single-bond geometry to one Zr(1) atom. Zn(1) is bonded in a 2-coordinate geometry to one Zr(1) and one Zr(2) atom.