data_NaMnCr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMnCr4
_chemical_formula_sum   'Na1 Mn1 Cr4'
_cell_volume   77.84
_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  Na5  1  0.0  0.0  0.0  1.0
  Mn  Mn4  1  0.08  0.08  0.08  1.0
  Cr  Cr0  1  0.24  0.24  0.54  1.0
  Cr  Cr1  1  0.24  0.54  0.24  1.0
  Cr  Cr2  1  0.54  0.24  0.24  1.0
  Cr  Cr3  1  0.54  0.54  0.54  1.0

data_NaMnCr4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   11.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaMnCr4
_chemical_formula_sum   'Na3 Mn3 Cr12'
_cell_volume   233.51
_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  3  0.0  0.0  0.92  1.0
  Cr  Cr2  9  0.1  0.2  0.66  1.0
  Cr  Cr3  3  0.0  0.0  0.46  1.0

Na Mn Cr Cr Cr Cr
Na Mn Cr Cr Cr Cr 0 1 o o o 0 5 o - - 0 5 - o - 0 5 - - o 1 5 o o - 1 5 o - o 1 5 - o o 2 4 o o o 2 3 o o o 2 5 o o o 2 5 o - o 2 5 - o o 3 4 o o o 3 5 o o o 3 5 o o - 3 5 - o o 4 5 o o o 4 5 o o - 4 5 o - o 
NaCr4Mn crystallizes in the trigonal R3m space group. Na(1) is bonded in a single-bond geometry to three equivalent Cr(1), three equivalent Cr(2), and one Mn(1) atom. All Na(1)-Cr(1) bond lengths are 1.95 Å. All Na(1)-Cr(2) bond lengths are 3.16 Å. The Na(1)-Mn(1) bond length is 0.98 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(2) is bonded in a 15-coordinate geometry to three equivalent Na(1), nine equivalent Cr(1), and three equivalent Mn(1) atoms. There are three shorter (2.45 Å) and six longer (2.94 Å) Cr(2)-Cr(1) bond lengths. All Cr(2)-Mn(1) bond lengths are 3.10 Å. In the second Cr site, Cr(1) is bonded in a 3-coordinate geometry to one Na(1), two equivalent Cr(1), and three equivalent Cr(2) atoms. Both Cr(1)-Cr(1) bond lengths are 1.41 Å. Mn(1) is bonded in a single-bond geometry to one Na(1) and three equivalent Cr(2) atoms.