data_TaBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   10.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBi
_chemical_formula_sum   'Ta2 Bi2'
_cell_volume   100.87
_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  0.88  0.26  0.35  1.0
  Ta  Ta3  1  0.88  0.74  0.25  1.0
  Bi  Bi0  1  0.88  0.26  0.96  1.0
  Bi  Bi1  1  0.88  0.74  0.64  1.0

data_TaBi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   10.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.73
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TaBi
_chemical_formula_sum   'Ta2 Bi2'
_cell_volume   100.87
_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  0.5  0.26  0.05  1.0
  Bi  Bi1  2  0.5  0.26  0.66  1.0

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