data_LaTc4Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTc4Te
_chemical_formula_sum   'La1 Tc4 Te1'
_cell_volume   113.55
_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
  La  La0  1  0.92  0.92  0.92  1.0
  Tc  Tc1  1  0.87  0.87  0.82  1.0
  Tc  Tc2  1  0.87  0.82  0.87  1.0
  Tc  Tc3  1  0.82  0.87  0.87  1.0
  Tc  Tc4  1  0.82  0.82  0.82  1.0
  Te  Te5  1  0.0  0.0  0.0  1.0

data_LaTc4Te
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   13.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaTc4Te
_chemical_formula_sum   'La3 Tc12 Te3'
_cell_volume   340.65
_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
  La  La0  3  0.0  0.0  0.08  1.0
  Tc  Tc1  9  0.04  0.02  0.15  1.0
  Tc  Tc2  3  0.0  0.0  0.18  1.0
  Te  Te3  3  0.0  0.0  0.0  1.0

La Tc Tc Tc Tc Te
La Tc Tc Tc Tc Te 0 3 o o o 0 2 o o o 0 1 o o o 0 5 + + + 1 2 o o o 1 3 o o o 1 4 o o o 2 3 o o o 2 4 o o o 3 4 o o o 
LaTc4Te is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three LaTc4Te clusters. La(1) is bonded in a distorted single-bond geometry to three equivalent Tc(1) and one Te(1) atom. All La(1)-Tc(1) bond lengths are 0.94 Å. The La(1)-Te(1) bond length is 1.04 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 2-coordinate geometry to one La(1), one Tc(2), and two equivalent Tc(1) atoms. The Tc(1)-Tc(2) bond length is 0.52 Å. Both Tc(1)-Tc(1) bond lengths are 0.30 Å. In the second Tc site, Tc(2) is bonded in a 3-coordinate geometry to three equivalent Tc(1) atoms. Te(1) is bonded in a single-bond geometry to one La(1) atom.