data_TaBi2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   3.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBi2B
_chemical_formula_sum   'Ta1 Bi2 B1'
_cell_volume   84.52
_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  0.09  0.0  0.0  1.0
  Bi  Bi1  1  0.55  0.94  0.76  1.0
  Bi  Bi2  1  0.55  0.06  0.76  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_TaBi2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   102.91
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBi2B
_chemical_formula_sum   'Ta1 Bi2 B1'
_cell_volume   84.52
_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  0.09  0.0  1.0
  Bi  Bi1  1  0.76  0.55  0.06  1.0
  Bi  Bi2  1  0.76  0.55  0.94  1.0
  B  B3  1  0.0  0.0  0.0  1.0

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