data_MnBe2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   3.91
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBe2Tc
_chemical_formula_sum   'Mn1 Be2 Tc1'
_cell_volume   42.14
_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  0.76  0.76  0.76  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Be  Be1  1  0.14  0.14  0.14  1.0
  Tc  Tc3  1  0.38  0.38  0.38  1.0

data_MnBe2Tc
_symmetry_space_group_name_H-M   R3m
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   9.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MnBe2Tc
_chemical_formula_sum   'Mn3 Be6 Tc3'
_cell_volume   126.42
_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  0.24  1.0
  Be  Be1  3  0.0  0.0  -0.0  1.0
  Be  Be2  3  0.0  0.0  0.86  1.0
  Tc  Tc3  3  0.0  0.0  0.62  1.0

Mn Be Be Tc
Mn Be Be Tc 0 1 + o + 0 1 o + + 0 1 + + o 0 1 + + + 0 3 o o + 0 3 o + o 0 3 + o o 0 2 o + + 0 2 + o + 0 2 + + o 1 2 o o o 1 3 o o - 1 3 o - o 1 3 - o o 2 3 o o o 2 3 o o - 2 3 - o o 2 3 o - o 
Be2TcMn crystallizes in the trigonal R3m space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a 1-coordinate geometry to one Be(2), three equivalent Tc(1), and four equivalent Mn(1) atoms. The Be(1)-Be(2) bond length is 1.37 Å. All Be(1)-Tc(1) bond lengths are 2.30 Å. There is one shorter (2.28 Å) and three longer (2.43 Å) Be(1)-Mn(1) bond lengths. In the second Be site, Be(2) is bonded in a 2-coordinate geometry to one Be(1), four equivalent Tc(1), and three equivalent Mn(1) atoms. There is one shorter (2.28 Å) and three longer (2.43 Å) Be(2)-Tc(1) bond lengths. All Be(2)-Mn(1) bond lengths are 2.30 Å. Tc(1) is bonded in a 10-coordinate geometry to three equivalent Be(1), four equivalent Be(2), and three equivalent Mn(1) atoms. All Tc(1)-Mn(1) bond lengths are 2.30 Å. Mn(1) is bonded in a 10-coordinate geometry to three equivalent Be(2), four equivalent Be(1), and three equivalent Tc(1) atoms.