data_NaMn4P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.86
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMn4P
_chemical_formula_sum   'Na1 Mn4 P1'
_cell_volume   81.34
_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  Na4  1  0.0  0.0  0.0  1.0
  Mn  Mn0  1  0.6  0.6  0.28  1.0
  Mn  Mn1  1  0.6  0.28  0.6  1.0
  Mn  Mn2  1  0.28  0.6  0.6  1.0
  Mn  Mn3  1  0.28  0.28  0.28  1.0
  P  P5  1  0.72  0.72  0.72  1.0

data_NaMn4P
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   11.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaMn4P
_chemical_formula_sum   'Na3 Mn12 P3'
_cell_volume   244.03
_cell_formula_units_Z   3
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  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+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  3  0.0  0.0  0.0  1.0
  Mn  Mn1  9  0.21  0.11  0.51  1.0
  Mn  Mn2  3  0.0  0.0  0.72  1.0
  P  P3  3  0.0  0.0  0.28  1.0

Na Mn Mn Mn Mn P
Na Mn Mn Mn Mn P 0 1 - - o 0 1 - o o 0 1 o - o 0 5 - - - 0 5 - - o 0 5 - o - 0 5 o - - 0 2 - o - 0 2 - o o 0 2 o o - 0 4 - o o 0 4 o - o 0 4 o o - 0 4 o o o 0 3 o - - 0 3 o - o 0 3 o o - 1 2 o o o 1 3 o o o 1 4 + o o 1 4 o + o 1 4 o o o 1 5 o o - 2 3 o o o 2 4 + o o 2 4 o o + 2 4 o o o 2 5 o - o 3 4 o + o 3 4 o o + 3 4 o o o 3 5 - o o 4 5 - o o 4 5 o - o 4 5 o o - 
NaMn4P crystallizes in the trigonal R3m space group. Na(1) is bonded in a 9-coordinate geometry to three equivalent Mn(1), four equivalent Mn(2), and three equivalent P(1) atoms. All Na(1)-Mn(1) bond lengths are 2.81 Å. There are three shorter (2.88 Å) and one longer (3.31 Å) Na(1)-Mn(2) bond length. All Na(1)-P(1) bond lengths are 2.88 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 3-coordinate geometry to one Na(1), two equivalent Mn(1), three equivalent Mn(2), and one P(1) atom. Both Mn(1)-Mn(1) bond lengths are 1.57 Å. There is one shorter (2.71 Å) and two longer (2.86 Å) Mn(1)-Mn(2) bond lengths. The Mn(1)-P(1) bond length is 2.29 Å. In the second Mn site, Mn(2) is bonded in a 16-coordinate geometry to four equivalent Na(1), nine equivalent Mn(1), and three equivalent P(1) atoms. All Mn(2)-P(1) bond lengths are 3.09 Å. P(1) is bonded in a 3-coordinate geometry to three equivalent Na(1), three equivalent Mn(1), and three equivalent Mn(2) atoms.