data_TaBi2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   3.78
_cell_length_c   7.87
_cell_angle_alpha   90.0
_cell_angle_beta   93.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBi2Cl
_chemical_formula_sum   'Ta1 Bi2 Cl1'
_cell_volume   100.92
_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  Ta3  1  0.79  0.0  0.93  1.0
  Bi  Bi0  1  0.47  0.89  0.63  1.0
  Bi  Bi1  1  0.5  0.89  0.23  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_TaBi2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   3.78
_cell_length_c   7.87
_cell_angle_alpha   90.0
_cell_angle_beta   93.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBi2Cl
_chemical_formula_sum   'Ta1 Bi2 Cl1'
_cell_volume   100.92
_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  0.79  0.0  0.93  1.0
  Bi  Bi1  1  0.47  0.89  0.63  1.0
  Bi  Bi2  1  0.5  0.89  0.23  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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