data_TaB2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaB2Te
_chemical_formula_sum   'Ta1 B2 Te1'
_cell_volume   60.29
_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  0.0  0.0  0.04  1.0
  B  B0  1  0.58  0.58  0.2  1.0
  B  B1  1  0.58  0.58  0.87  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

data_TaB2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaB2Te
_chemical_formula_sum   'Ta2 B4 Te2'
_cell_volume   120.58
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  Ta0  2  0.0  0.0  0.04  1.0
  B  B1  2  0.08  0.5  0.2  1.0
  B  B2  2  0.08  0.5  0.87  1.0
  Te  Te3  2  0.0  0.0  0.0  1.0

Ta B B Te
Ta B B Te 0 3 o o o 0 1 o - o 0 1 - o o 0 1 - - o 0 2 o - - 0 2 - o - 0 2 - - - 1 3 o + o 1 3 + o o 1 3 + + o 1 2 o o - 2 3 o + + 2 3 + o + 2 3 + + + 