data_TiGe2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   5.41
_cell_angle_alpha   100.1
_cell_angle_beta   100.1
_cell_angle_gamma   42.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGe2Bi
_chemical_formula_sum   'Ti1 Ge2 Bi1'
_cell_volume   86.72
_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  0.0  1.0
  Ge  Ge1  1  0.65  0.0  0.49  1.0
  Ge  Ge2  1  0.46  0.0  0.83  1.0
  Bi  Bi0  1  0.06  0.0  0.66  1.0

data_TiGe2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   4.9
_cell_length_c   5.41
_cell_angle_alpha   100.1
_cell_angle_beta   90.0
_cell_angle_gamma   111.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGe2Bi
_chemical_formula_sum   'Ti1 Ge2 Bi1'
_cell_volume   86.72
_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  Ti0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.35  0.51  1.0
  Ge  Ge2  1  0.0  0.54  0.17  1.0
  Bi  Bi3  1  0.0  0.94  0.34  1.0

Ti Ge Ge Bi