data_TaBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   5.31
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBi
_chemical_formula_sum   'Ta2 Bi2'
_cell_volume   89.79
_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
  Ta  Ta2  1  0.0  0.0  0.53  1.0
  Ta  Ta3  1  0.6  0.66  0.75  1.0
  Bi  Bi0  1  0.6  0.0  0.28  1.0
  Bi  Bi1  1  0.0  0.66  1.0  1.0

data_TaBi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.2
_cell_length_b   5.28
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TaBi
_chemical_formula_sum   'Ta2 Bi2'
_cell_volume   89.79
_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
  Ta  Ta0  2  0.2  0.89  0.17  1.0
  Bi  Bi1  2  0.2  0.36  0.83  1.0

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