data_TiBi2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.26
_cell_length_c   9.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBi2Au
_chemical_formula_sum   'Ti1 Bi2 Au1'
_cell_volume   100.75
_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
  Ti  Ti3  1  0.0  0.0  0.34  1.0
  Bi  Bi1  1  0.0  0.0  0.56  1.0
  Bi  Bi2  1  0.28  0.0  0.51  1.0
  Au  Au0  1  0.28  0.0  0.78  1.0

data_TiBi2Au
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.26
_cell_length_b   3.26
_cell_length_c   9.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TiBi2Au
_chemical_formula_sum   'Ti1 Bi2 Au1'
_cell_volume   100.78
_cell_formula_units_Z   1
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
  Ti  Ti0  1  0.0  0.0  0.34  1.0
  Bi  Bi1  1  0.0  0.0  0.56  1.0
  Bi  Bi2  1  0.28  0.0  0.51  1.0
  Au  Au3  1  0.28  0.0  0.78  1.0

Ti Bi Bi Au