data_NaMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMn
_chemical_formula_sum   'Na4 Mn4'
_cell_volume   186.63
_cell_formula_units_Z   4
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  Na4  1  0.32  0.18  0.4  1.0
  Na  Na5  1  0.54  0.54  0.54  1.0
  Na  Na6  1  0.4  0.32  0.18  1.0
  Na  Na7  1  0.18  0.4  0.32  1.0
  Mn  Mn0  1  0.59  0.45  0.12  1.0
  Mn  Mn1  1  0.27  0.27  0.27  1.0
  Mn  Mn2  1  0.12  0.59  0.45  1.0
  Mn  Mn3  1  0.45  0.12  0.59  1.0

data_NaMn
_symmetry_space_group_name_H-M   R3
_cell_length_a   8.08
_cell_length_b   8.08
_cell_length_c   9.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   NaMn
_chemical_formula_sum   'Na12 Mn12'
_cell_volume   559.88
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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  9  0.02  0.9  0.3  1.0
  Na  Na1  3  0.0  0.0  0.54  1.0
  Mn  Mn2  9  0.06  0.8  0.39  1.0
  Mn  Mn3  3  0.0  0.0  0.27  1.0

Na Na Na Na Mn Mn Mn Mn
NaMn crystallizes in the trigonal R3 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one Mn(2) atom. The Na(1)-Mn(1) bond length is 1.37 Å. The Na(1)-Mn(2) bond length is 0.96 Å. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to six equivalent Mn(1) atoms. There are three shorter (2.45 Å) and three longer (3.39 Å) Na(2)-Mn(1) bond lengths. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted single-bond geometry to one Na(1) and two equivalent Na(2) atoms. In the second Mn site, Mn(2) is bonded in a trigonal non-coplanar geometry to three equivalent Na(1) atoms.