data_La2ReTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ReTc
_chemical_formula_sum   'La2 Re1 Tc1'
_cell_volume   84.85
_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  0.74  0.74  0.74  1.0
  La  La1  1  0.49  0.49  0.49  1.0
  Re  Re2  1  0.23  0.23  0.23  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

data_La2ReTc
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   12.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   La2ReTc
_chemical_formula_sum   'La6 Re3 Tc3'
_cell_volume   254.56
_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  0.26  1.0
  La  La1  3  0.0  0.0  0.51  1.0
  Tc  Tc2  3  0.0  0.0  0.0  1.0
  Re  Re3  3  0.0  0.0  0.77  1.0

La La Re Tc
La La Re Tc 0 2 o o + 0 2 o + o 0 2 o + + 0 2 + o o 0 2 + o + 0 2 + + o 0 1 o o o 0 1 o o + 0 1 o + o 0 1 + o o 0 3 o + + 0 3 + o + 0 3 + + o 0 3 + + + 1 2 o o o 1 2 o o + 1 2 o + o 1 2 + o o 1 3 o o + 1 3 o + o 1 3 o + + 1 3 + o o 1 3 + o + 1 3 + + o 2 3 o o o 2 3 o o + 2 3 + o o 2 3 o + o 
La2ReTc is Zintl Phase-derived structured and crystallizes in the trigonal R3m space group. There are two inequivalent La sites. In the first La site, La(1) is bonded to six equivalent Re(1) and four equivalent Tc(1) atoms to form distorted LaRe6Tc4 tetrahedra that share corners with six equivalent La(1)Re6Tc4 tetrahedra, edges with twelve equivalent La(2)Re4Tc6 tetrahedra, faces with four equivalent La(2)Re4Tc6 tetrahedra, and faces with twelve equivalent La(1)Re6Tc4 tetrahedra. There are three shorter (3.40 Å) and three longer (3.58 Å) La(1)-Re(1) bond lengths. There are three shorter (3.00 Å) and one longer (3.09 Å) La(1)-Tc(1) bond length. In the second La site, La(2) is bonded to four equivalent Re(1) and six equivalent Tc(1) atoms to form distorted LaRe4Tc6 tetrahedra that share corners with six equivalent La(2)Re4Tc6 tetrahedra, edges with twelve equivalent La(1)Re6Tc4 tetrahedra, faces with four equivalent La(1)Re6Tc4 tetrahedra, and faces with twelve equivalent La(2)Re4Tc6 tetrahedra. There are three shorter (3.00 Å) and one longer (3.09 Å) La(2)-Re(1) bond length. There are three shorter (3.40 Å) and three longer (3.58 Å) La(2)-Tc(1) bond lengths. Re(1) is bonded in a 14-coordinate geometry to four equivalent La(2), six equivalent La(1), and four equivalent Tc(1) atoms. There is one shorter (2.80 Å) and three longer (3.10 Å) Re(1)-Tc(1) bond lengths. Tc(1) is bonded in a 14-coordinate geometry to four equivalent La(1), six equivalent La(2), and four equivalent Re(1) atoms.