data_Ti2BiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   6.25
_cell_angle_alpha   140.01
_cell_angle_beta   140.01
_cell_angle_gamma   57.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2BiPb
_chemical_formula_sum   'Ti2 Bi1 Pb1'
_cell_volume   99.85
_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  Ti2  1  0.0  0.14  0.73  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.14  0.0  0.73  1.0
  Pb  Pb1  1  0.0  0.0  0.47  1.0

data_Ti2BiPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   6.25
_cell_angle_alpha   109.99
_cell_angle_beta   109.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2BiPb
_chemical_formula_sum   'Ti2 Bi1 Pb1'
_cell_volume   99.85
_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
  Ti  Ti1  1  0.4  0.14  0.4  1.0
  Bi  Bi2  1  0.27  0.0  0.4  1.0
  Pb  Pb3  1  0.53  0.0  0.53  1.0

Ti Ti Bi Pb