data_LaRe2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRe2Te
_chemical_formula_sum   'La1 Re2 Te1'
_cell_volume   83.17
_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  0.2  0.2  0.2  1.0
  Re  Re1  1  0.73  0.73  0.73  1.0
  Re  Re2  1  0.46  0.46  0.46  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

data_LaRe2Te
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   12.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaRe2Te
_chemical_formula_sum   'La3 Re6 Te3'
_cell_volume   249.52
_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  0.8  1.0
  Re  Re1  3  0.0  0.0  0.27  1.0
  Re  Re2  3  0.0  0.0  0.54  1.0
  Te  Te3  3  0.0  0.0  0.0  1.0

La Re Re Te
La Re Re Te 0 3 o o o 0 3 o o + 0 3 + o o 0 3 o + o 0 1 - - o 0 1 - o - 0 1 o - - 0 2 - o o 0 2 o - o 0 2 o o - 0 2 o o o 1 2 o o o 1 2 o o + 1 2 o + o 1 2 + o o 1 3 o + + 1 3 + o + 1 3 + + o 1 3 + + + 2 3 o o + 2 3 o + o 2 3 + o o 
LaRe2Te crystallizes in the trigonal R3m space group. La(1) is bonded in a distorted single-bond geometry to four equivalent Re(2), six equivalent Re(1), and one Te(1) atom. There are three shorter (2.94 Å) and one longer (3.21 Å) La(1)-Re(2) bond length. There are three shorter (3.24 Å) and three longer (3.73 Å) La(1)-Re(1) bond lengths. The La(1)-Te(1) bond length is 2.36 Å. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 14-coordinate geometry to six equivalent La(1), four equivalent Re(2), and four equivalent Te(1) atoms. There are three shorter (2.94 Å) and one longer (3.21 Å) Re(1)-Re(2) bond length. There are three shorter (2.94 Å) and one longer (3.21 Å) Re(1)-Te(1) bond length. In the second Re site, Re(2) is bonded in a 11-coordinate geometry to four equivalent La(1), four equivalent Re(1), and three equivalent Te(1) atoms. All Re(2)-Te(1) bond lengths are 3.24 Å. Te(1) is bonded in a distorted single-bond geometry to one La(1), three equivalent Re(2), and four equivalent Re(1) atoms.