data_MnReB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   3.84
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnReB2
_chemical_formula_sum   'Mn1 Re1 B2'
_cell_volume   39.91
_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  Mn2  1  0.71  0.71  0.71  1.0
  Re  Re3  1  0.36  0.36  0.36  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.07  0.07  0.07  1.0

data_MnReB2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   9.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MnReB2
_chemical_formula_sum   'Mn3 Re3 B6'
_cell_volume   119.73
_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  3  0.0  0.0  0.29  1.0
  Re  Re1  3  0.0  0.0  0.64  1.0
  B  B2  3  0.0  0.0  0.0  1.0
  B  B3  3  0.0  0.0  0.93  1.0

Mn Re B B
ReMnB2 crystallizes in the trigonal R3m space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 11-coordinate geometry to four equivalent Mn(1), three equivalent B(1), and four equivalent B(2) atoms. There are three shorter (2.23 Å) and one longer (3.35 Å) Re(1)-Mn(1) bond length. All Re(1)-B(1) bond lengths are 2.23 Å. There are three shorter (2.26 Å) and one longer (2.70 Å) Re(1)-B(2) bond length. In the second Re site, Re(1) is bonded in a 11-coordinate geometry to four equivalent Mn(1), three equivalent B(1), and four equivalent B(2) atoms. There are three shorter (2.23 Å) and one longer (3.35 Å) Re(1)-Mn(1) bond length. All Re(1)-B(1) bond lengths are 2.23 Å. There are three shorter (2.26 Å) and one longer (2.70 Å) Re(1)-B(2) bond length. Mn(1) is bonded in a 11-coordinate geometry to four Re(1,1); three equivalent B(2); and four equivalent B(1) atoms. All Mn(1)-B(2) bond lengths are 2.23 Å. There are three shorter (2.26 Å) and one longer (2.70 Å) Mn(1)-B(1) bond length. There are two inequivalent B sites. In the first B site, B(1) is bonded in a single-bond geometry to three equivalent Re(1), four equivalent Mn(1), and one B(2) atom. The B(1)-B(2) bond length is 0.64 Å. In the second B site, B(2) is bonded in a single-bond geometry to four Re(1,1); three equivalent Mn(1); and one B(1) atom.