data_TaBi2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   3.69
_cell_length_c   8.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBi2Te
_chemical_formula_sum   'Ta1 Bi2 Te1'
_cell_volume   107.82
_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  0.22  1.0
  Bi  Bi0  1  0.73  0.84  0.54  1.0
  Bi  Bi1  1  0.73  0.84  0.9  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

data_TaBi2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   3.69
_cell_length_c   8.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBi2Te
_chemical_formula_sum   'Ta1 Bi2 Te1'
_cell_volume   107.82
_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  Ta0  1  0.0  0.0  0.22  1.0
  Bi  Bi1  1  0.73  0.84  0.54  1.0
  Bi  Bi2  1  0.73  0.84  0.9  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

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