data_Na2MnZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   8.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MnZn
_chemical_formula_sum   'Na2 Mn1 Zn1'
_cell_volume   93.02
_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
  Na  Na1  1  0.62  0.62  0.44  1.0
  Na  Na2  1  0.0  0.0  0.71  1.0
  Mn  Mn0  1  0.0  0.0  0.08  1.0
  Zn  Zn3  1  0.62  0.62  0.91  1.0

data_Na2MnZn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   8.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2MnZn
_chemical_formula_sum   'Na4 Mn2 Zn2'
_cell_volume   186.03
_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
  Na  Na0  2  0.0  0.0  0.71  1.0
  Na  Na1  2  0.12  0.5  0.44  1.0
  Mn  Mn2  2  0.0  0.0  0.08  1.0
  Zn  Zn3  2  0.12  0.5  0.91  1.0

Na Na Mn Zn
Na2MnZn crystallizes in the monoclinic Cm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to three equivalent Na(2), four equivalent Na(1), and one Mn(1) atom. There is one shorter (2.97 Å) and two longer (3.37 Å) Na(1)-Na(2) bond lengths. All Na(1)-Na(1) bond lengths are 3.24 Å. The Na(1)-Mn(1) bond length is 3.68 Å. In the second Na site, Na(2) is bonded in a 1-coordinate geometry to three equivalent Na(1) and four equivalent Zn(1) atoms. There are a spread of Na(2)-Zn(1) bond distances ranging from 2.46-3.33 Å. Mn(1) is bonded in a 1-coordinate geometry to one Na(1) and four equivalent Zn(1) atoms. There are a spread of Mn(1)-Zn(1) bond distances ranging from 2.28-3.20 Å. Zn(1) is bonded in a 8-coordinate geometry to four equivalent Na(2) and four equivalent Mn(1) atoms.