data_BiBTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiBTe2
_chemical_formula_sum   'Bi1 B1 Te2'
_cell_volume   99.88
_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
  Bi  Bi1  1  0.52  0.52  0.52  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.68  0.68  0.68  1.0
  Te  Te3  1  0.84  0.84  0.84  1.0

data_BiBTe2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   12.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BiBTe2
_chemical_formula_sum   'Bi3 B3 Te6'
_cell_volume   299.63
_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
  Bi  Bi0  3  0.0  0.0  0.48  1.0
  B  B1  3  0.0  0.0  1.0  1.0
  Te  Te2  3  0.0  0.0  0.16  1.0
  Te  Te3  3  0.0  0.0  0.32  1.0

Bi B Te Te
BBiTe2 crystallizes in the trigonal R3m space group. B(1) is bonded in a single-bond geometry to one Te(2) atom. The B(1)-Te(2) bond length is 2.03 Å. Bi(1) is bonded to one Te(1) and three equivalent Te(2) atoms to form distorted BiTe4 trigonal pyramids that share  a cornercorner with one Te(2)Bi3BTe trigonal bipyramid and corners with six equivalent Bi(1)Te4 trigonal pyramids. The Bi(1)-Te(1) bond length is 2.03 Å. All Bi(1)-Te(2) bond lengths are 3.01 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a linear geometry to one Bi(1) and one Te(2) atom. The Te(1)-Te(2) bond length is 2.03 Å. In the second Te site, Te(2) is bonded to one B(1), three equivalent Bi(1), and one Te(1) atom to form distorted TeBi3BTe trigonal bipyramids that share corners with six equivalent Te(2)Bi3BTe trigonal bipyramids and  a cornercorner with one Bi(1)Te4 trigonal pyramid.