data_Na2MnNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   9.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MnNi
_chemical_formula_sum   'Na2 Mn1 Ni1'
_cell_volume   90.43
_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  0.58  0.58  0.3  1.0
  Na  Na2  1  0.58  0.58  0.8  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.0  0.0  0.55  1.0

data_Na2MnNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   9.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2MnNi
_chemical_formula_sum   'Na4 Mn2 Ni2'
_cell_volume   180.86
_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  0.08  0.5  0.3  1.0
  Na  Na1  2  0.08  0.5  0.8  1.0
  Mn  Mn2  2  0.0  0.0  0.0  1.0
  Ni  Ni3  2  0.0  0.0  0.55  1.0

Na Na Mn Ni
Na2MnNi crystallizes in the monoclinic Cm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 12-coordinate geometry to four equivalent Na(1), four equivalent Mn(1), and four equivalent Ni(1) atoms. All Na(1)-Na(1) bond lengths are 3.15 Å. There are a spread of Na(1)-Mn(1) bond distances ranging from 3.30-3.73 Å. There are a spread of Na(1)-Ni(1) bond distances ranging from 2.95-3.43 Å. In the second Na site, Na(2) is bonded in a 12-coordinate geometry to four equivalent Na(2), four equivalent Mn(1), and four equivalent Ni(1) atoms. All Na(2)-Na(2) bond lengths are 3.15 Å. There are a spread of Na(2)-Mn(1) bond distances ranging from 2.65-3.17 Å. There are a spread of Na(2)-Ni(1) bond distances ranging from 2.95-3.43 Å. Mn(1) is bonded in a 12-coordinate geometry to four equivalent Na(1), four equivalent Na(2), and four equivalent Mn(1) atoms. All Mn(1)-Mn(1) bond lengths are 3.15 Å. Ni(1) is bonded in a 8-coordinate geometry to four equivalent Na(1) and four equivalent Na(2) atoms.