data_TaSiBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   3.23
_cell_angle_alpha   100.98
_cell_angle_beta   100.98
_cell_angle_gamma   99.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSiBi2
_chemical_formula_sum   'Ta1 Si1 Bi2'
_cell_volume   94.76
_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  0.6  0.0  0.0  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.32  0.87  0.54  1.0
  Bi  Bi1  1  0.32  0.13  0.54  1.0

data_TaSiBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   99.58
_cell_angle_beta   100.98
_cell_angle_gamma   100.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSiBi2
_chemical_formula_sum   'Ta1 Si1 Bi2'
_cell_volume   94.76
_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  0.6  0.0  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.54  0.32  0.13  1.0
  Bi  Bi3  1  0.54  0.32  0.87  1.0

Ta Si Bi Bi