data_Ba2TbTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   6.12
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TbTe
_chemical_formula_sum   'Ba2 Tb1 Te1'
_cell_volume   162.09
_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
  Ba  Ba0  1  0.16  0.16  0.16  1.0
  Ba  Ba1  1  0.49  0.49  0.49  1.0
  Tb  Tb2  1  0.33  0.33  0.33  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

data_Ba2TbTe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   14.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ba2TbTe
_chemical_formula_sum   'Ba6 Tb3 Te3'
_cell_volume   486.26
_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
  Ba  Ba0  3  0.0  0.0  0.51  1.0
  Ba  Ba1  3  0.0  0.0  0.84  1.0
  Tb  Tb2  3  0.0  0.0  0.67  1.0
  Te  Te3  3  0.0  0.0  0.0  1.0

Ba Ba Tb Te
Ba Ba Tb Te 0 3 o o o 0 2 o o o 1 2 o o o 
Ba2TbTe crystallizes in the trigonal R3m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a linear geometry to one Tb(1) and one Te(1) atom. The Ba(1)-Tb(1) bond length is 2.45 Å. The Ba(1)-Te(1) bond length is 2.45 Å. In the second Ba site, Ba(2) is bonded in a single-bond geometry to one Tb(1) atom. The Ba(2)-Tb(1) bond length is 2.45 Å. Tb(1) is bonded to one Ba(1), one Ba(2), and three equivalent Te(1) atoms to form TbBa2Te3 trigonal bipyramids that share corners with six equivalent Tb(1)Ba2Te3 trigonal bipyramids and  a cornercorner with one Te(1)BaTb3 trigonal pyramid. All Tb(1)-Te(1) bond lengths are 3.53 Å. Te(1) is bonded to one Ba(1) and three equivalent Tb(1) atoms to form distorted TeBaTb3 trigonal pyramids that share  a cornercorner with one Tb(1)Ba2Te3 trigonal bipyramid and corners with six equivalent Te(1)BaTb3 trigonal pyramids.