data_TaBe2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   4.52
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBe2Te
_chemical_formula_sum   'Ta1 Be2 Te1'
_cell_volume   65.28
_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
  Ta  Ta2  1  0.79  0.79  0.79  1.0
  Be  Be0  1  0.6  0.6  0.6  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.2  0.2  0.2  1.0

data_TaBe2Te
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   11.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TaBe2Te
_chemical_formula_sum   'Ta3 Be6 Te3'
_cell_volume   195.83
_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
  Ta  Ta0  3  0.0  0.0  0.21  1.0
  Be  Be1  3  0.0  0.0  0.4  1.0
  Be  Be2  3  0.0  0.0  1.0  1.0
  Te  Te3  3  0.0  0.0  0.8  1.0

Ta Be Be Te
Ta Be Be Te 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 2 + + + 1 3 o o + 1 3 o + o 1 3 + o o 1 2 o + + 1 2 + o + 1 2 + + o 2 3 o o o 2 3 o o - 2 3 - o o 2 3 o - o 
Be2TaTe crystallizes in the trigonal R3m space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to one Ta(1) and three equivalent Te(1) atoms to form distorted corner-sharing BeTaTe3 tetrahedra. The Be(1)-Ta(1) bond length is 2.17 Å. All Be(1)-Te(1) bond lengths are 2.72 Å. In the second Be site, Be(2) is bonded in a distorted linear geometry to one Ta(1) and one Te(1) atom. The Be(2)-Ta(1) bond length is 2.28 Å. The Be(2)-Te(1) bond length is 2.17 Å. Ta(1) is bonded in a 5-coordinate geometry to one Be(1), one Be(2), and three equivalent Te(1) atoms. All Ta(1)-Te(1) bond lengths are 2.72 Å. Te(1) is bonded in a 7-coordinate geometry to one Be(2), three equivalent Be(1), and three equivalent Ta(1) atoms.