data_MgAlTcBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAlTcBi
_chemical_formula_sum   'Mg1 Al1 Tc1 Bi1'
_cell_volume   78.55
_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
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.4  0.4  0.4  1.0
  Tc  Tc3  1  0.1  0.1  0.1  1.0
  Bi  Bi1  1  0.7  0.7  0.7  1.0

data_MgAlTcBi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   11.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MgAlTcBi
_chemical_formula_sum   'Mg3 Al3 Tc3 Bi3'
_cell_volume   235.65
_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
  Mg  Mg0  3  0.0  0.0  0.0  1.0
  Al  Al1  3  0.0  0.0  0.6  1.0
  Tc  Tc2  3  0.0  0.0  0.9  1.0
  Bi  Bi3  3  0.0  0.0  0.3  1.0

Mg Al Tc Bi
Mg Al Tc Bi 0 2 o o o 0 1 o o - 0 1 o - o 0 1 - o o 0 3 o - - 0 3 - o - 0 3 - - o 1 2 o o + 1 2 o + o 1 2 + o o 1 3 - o o 1 3 o - o 1 3 o o - 2 3 o - - 2 3 - o - 2 3 - - o 
MgTcAlBi crystallizes in the trigonal R3m space group. Mg(1) is bonded in a single-bond geometry to one Tc(1), three equivalent Al(1), and four equivalent Bi(1) atoms. The Mg(1)-Tc(1) bond length is 1.16 Å. All Mg(1)-Al(1) bond lengths are 2.88 Å. There are three shorter (2.80 Å) and one longer (3.54 Å) Mg(1)-Bi(1) bond length. Tc(1) is bonded in a single-bond geometry to one Mg(1), three equivalent Al(1), and three equivalent Bi(1) atoms. All Tc(1)-Al(1) bond lengths are 2.80 Å. All Tc(1)-Bi(1) bond lengths are 2.88 Å. Al(1) is bonded in a 9-coordinate geometry to three equivalent Mg(1), three equivalent Tc(1), and three equivalent Bi(1) atoms. All Al(1)-Bi(1) bond lengths are 2.80 Å. Bi(1) is bonded in a 10-coordinate geometry to four equivalent Mg(1), three equivalent Tc(1), and three equivalent Al(1) atoms.