data_B3Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.87
_cell_length_b   7.87
_cell_length_c   4.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B3Te
_chemical_formula_sum   'B6 Te2'
_cell_volume   260.62
_cell_formula_units_Z   2
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
  B  B0  1  0.13  0.05  0.19  1.0
  B  B1  1  0.13  0.95  0.06  1.0
  B  B2  1  0.35  0.93  0.19  1.0
  B  B3  1  0.91  0.07  0.06  1.0
  B  B4  1  0.91  0.93  0.19  1.0
  B  B5  1  0.35  0.07  0.06  1.0
  Te  Te6  1  0.13  0.89  0.06  1.0
  Te  Te7  1  0.13  0.11  0.19  1.0

data_B3Te
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.25
_cell_length_b   7.87
_cell_length_c   7.87
_cell_angle_alpha   98.76
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   B3Te
_chemical_formula_sum   'B6 Te2'
_cell_volume   260.62
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  B  B0  2  0.06  0.0  0.05  1.0
  B  B1  2  0.06  0.22  0.93  1.0
  B  B2  2  0.06  0.78  0.93  1.0
  Te  Te3  2  0.06  0.0  0.11  1.0

B B B B B B Te Te
B B B B B B Te Te 0 7 o o o 1 6 o o o 2 5 o + o 3 4 o - o 