data_Mn4BeRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.6
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn4BeRe
_chemical_formula_sum   'Mn4 Be1 Re1'
_cell_volume   68.84
_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
  Mn  Mn1  1  0.08  0.08  0.43  1.0
  Mn  Mn2  1  0.08  0.43  0.08  1.0
  Mn  Mn3  1  0.43  0.08  0.08  1.0
  Mn  Mn4  1  0.43  0.43  0.43  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Re  Re5  1  0.88  0.88  0.88  1.0

data_Mn4BeRe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   11.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Mn4BeRe
_chemical_formula_sum   'Mn12 Be3 Re3'
_cell_volume   206.53
_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
  Mn  Mn0  9  0.1  0.55  0.47  1.0
  Mn  Mn1  3  0.0  0.0  0.57  1.0
  Be  Be2  3  0.0  0.0  0.0  1.0
  Re  Re3  3  0.0  0.0  0.12  1.0

Mn Mn Mn Mn Be Re
Mn Mn Mn Mn Be Re 0 5 - - o 0 2 o o o 0 1 o o o 0 3 o o o 0 3 o - o 0 3 - o o 1 5 - o - 1 2 o o o 1 3 o o o 1 3 o o - 1 3 - o o 2 5 o - - 2 3 o o o 2 3 o o - 2 3 o - o 3 4 o o + 3 4 o + o 3 4 + o o 3 5 - o o 3 5 o - o 3 5 o o - 4 5 - - - 
BeReMn4 crystallizes in the trigonal R3m space group. Be(1) is bonded in a single-bond geometry to one Re(1) and three equivalent Mn(2) atoms. The Be(1)-Re(1) bond length is 1.36 Å. All Be(1)-Mn(2) bond lengths are 2.87 Å. Re(1) is bonded to one Be(1), three equivalent Mn(1), and three equivalent Mn(2) atoms to form distorted corner-sharing ReMn6Be trigonal pyramids. All Re(1)-Mn(1) bond lengths are 1.73 Å. All Re(1)-Mn(2) bond lengths are 2.96 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted single-bond geometry to one Re(1) and three equivalent Mn(2) atoms. There are two shorter (2.58 Å) and one longer (2.82 Å) Mn(1)-Mn(2) bond length. In the second Mn site, Mn(2) is bonded in a 15-coordinate geometry to three equivalent Be(1), three equivalent Re(1), and nine equivalent Mn(1) atoms.