data_LaMgTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMgTc
_chemical_formula_sum   'La1 Mg1 Tc1'
_cell_volume   77.27
_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
  La  La0  1  0.69  0.69  0.69  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.38  0.38  0.38  1.0

data_LaMgTc
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   11.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaMgTc
_chemical_formula_sum   'La3 Mg3 Tc3'
_cell_volume   231.81
_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
  La  La0  3  0.0  0.0  0.31  1.0
  Mg  Mg1  3  0.0  0.0  0.0  1.0
  Tc  Tc2  3  0.0  0.0  0.62  1.0

La Mg Tc
MgLaTc is half-Heusler structured and crystallizes in the trigonal R3m space group. Mg(1) is bonded to four equivalent La(1) and three equivalent Tc(1) atoms to form distorted MgLa4Tc3 hexagonal pyramids that share corners with six equivalent La(1)Mg4Tc4 hexagonal bipyramids, corners with four equivalent Tc(1)La4Mg3 hexagonal pyramids, corners with six equivalent Mg(1)La4Tc3 hexagonal pyramids, edges with three equivalent La(1)Mg4Tc4 hexagonal bipyramids, edges with six equivalent Mg(1)La4Tc3 hexagonal pyramids, and edges with six equivalent Tc(1)La4Mg3 hexagonal pyramids. There are three shorter (2.77 Å) and one longer (3.63 Å) Mg(1)-La(1) bond length. All Mg(1)-Tc(1) bond lengths are 2.82 Å. La(1) is bonded to four equivalent Mg(1) and four equivalent Tc(1) atoms to form distorted LaMg4Tc4 hexagonal bipyramids that share corners with six equivalent Mg(1)La4Tc3 hexagonal pyramids, corners with six equivalent Tc(1)La4Mg3 hexagonal pyramids, edges with twelve equivalent La(1)Mg4Tc4 hexagonal bipyramids, edges with three equivalent Mg(1)La4Tc3 hexagonal pyramids, and edges with three equivalent Tc(1)La4Mg3 hexagonal pyramids. There are three shorter (2.77 Å) and one longer (3.63 Å) La(1)-Tc(1) bond length. Tc(1) is bonded to three equivalent Mg(1) and four equivalent La(1) atoms to form distorted TcLa4Mg3 hexagonal pyramids that share corners with six equivalent La(1)Mg4Tc4 hexagonal bipyramids, corners with four equivalent Mg(1)La4Tc3 hexagonal pyramids, corners with six equivalent Tc(1)La4Mg3 hexagonal pyramids, edges with three equivalent La(1)Mg4Tc4 hexagonal bipyramids, edges with six equivalent Mg(1)La4Tc3 hexagonal pyramids, and edges with six equivalent Tc(1)La4Mg3 hexagonal pyramids.