data_NaMgMnBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   4.59
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMgMnBe
_chemical_formula_sum   'Na1 Mg1 Mn1 Be1'
_cell_volume   68.41
_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  Na3  1  0.87  0.87  0.87  1.0
  Mg  Mg1  1  0.25  0.25  0.25  1.0
  Mn  Mn2  1  0.62  0.62  0.62  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0

data_NaMgMnBe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   11.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaMgMnBe
_chemical_formula_sum   'Na3 Mg3 Mn3 Be3'
_cell_volume   205.23
_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  0.13  1.0
  Mg  Mg1  3  0.0  0.0  0.75  1.0
  Mn  Mn2  3  0.0  0.0  0.38  1.0
  Be  Be3  3  0.0  0.0  0.0  1.0

Na Mg Mn Be
Na Mg Mn Be 0 3 + + + 0 1 + + o 0 1 + o + 0 1 o + + 0 2 o + o 0 2 + o o 0 2 o o + 0 2 o o o 1 3 o o o 1 3 o o + 1 3 + o o 1 3 o + o 1 2 - o o 1 2 o - o 1 2 o o - 2 3 o + + 2 3 + o + 2 3 + + o 
NaMgBeMn crystallizes in the trigonal R3m space group. Na(1) is bonded in a single-bond geometry to three equivalent Mg(1), one Be(1), and four equivalent Mn(1) atoms. All Na(1)-Mg(1) bond lengths are 2.70 Å. The Na(1)-Be(1) bond length is 1.47 Å. There is one shorter (2.77 Å) and three longer (2.83 Å) Na(1)-Mn(1) bond lengths. Mg(1) is bonded in a 10-coordinate geometry to three equivalent Na(1), four equivalent Be(1), and three equivalent Mn(1) atoms. There is one shorter (2.77 Å) and three longer (2.83 Å) Mg(1)-Be(1) bond lengths. All Mg(1)-Mn(1) bond lengths are 2.70 Å. Be(1) is bonded in a single-bond geometry to one Na(1), four equivalent Mg(1), and three equivalent Mn(1) atoms. All Be(1)-Mn(1) bond lengths are 2.70 Å. Mn(1) is bonded in a 10-coordinate geometry to four equivalent Na(1), three equivalent Mg(1), and three equivalent Be(1) atoms.