data_MnBe2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.86
_cell_length_b   7.86
_cell_length_c   7.86
_cell_angle_alpha   21.51
_cell_angle_beta   21.51
_cell_angle_gamma   21.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBe2Sb
_chemical_formula_sum   'Mn1 Be2 Sb1'
_cell_volume   57.23
_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  0.0  0.0  0.0  1.0
  Be  Be0  1  0.0  0.0  0.12  1.0
  Be  Be1  1  0.0  0.0  0.91  1.0
  Sb  Sb3  1  0.0  0.0  0.51  1.0

data_MnBe2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.08
_cell_length_b   2.93
_cell_length_c   7.86
_cell_angle_alpha   90.0
_cell_angle_beta   102.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnBe2Sb
_chemical_formula_sum   'Mn2 Be4 Sb2'
_cell_volume   114.45
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  Mn0  2  0.0  0.0  0.0  1.0
  Be  Be1  2  0.0  0.0  0.09  1.0
  Be  Be2  2  0.0  0.0  0.88  1.0
  Sb  Sb3  2  0.0  0.0  0.49  1.0

Mn Be Be Sb
Mn Be Be Sb 0 2 o o - 0 1 o o o 1 3 o o o 2 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 
Be2MnSb crystallizes in the monoclinic Cm space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a single-bond geometry to one Mn(1) and one Sb(1) atom. The Be(1)-Mn(1) bond length is 0.95 Å. The Be(1)-Sb(1) bond length is 3.10 Å. In the second Be site, Be(2) is bonded in a single-bond geometry to one Mn(1) and one Sb(1) atom. The Be(2)-Mn(1) bond length is 0.72 Å. The Be(2)-Sb(1) bond length is 3.10 Å. Mn(1) is bonded in a linear geometry to one Be(1) and one Be(2) atom. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one Be(1); one Be(2); and six Sb(1,1) atoms to form a mixture of distorted edge and corner-sharing SbBe2Sb6 hexagonal bipyramids. All Sb(1)-Sb(1,1) bond lengths are 2.93 Å. In the second Sb site, Sb(1) is bonded to one Be(1); one Be(2); and six Sb(1,1) atoms to form a mixture of distorted edge and corner-sharing SbBe2Sb6 hexagonal bipyramids. The Sb(1)-Be(1) bond length is 3.10 Å. The Sb(1)-Be(2) bond length is 3.10 Å. Both Sb(1)-Sb(1) bond lengths are 2.93 Å.