data_TiBiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.14
_cell_length_b   8.04
_cell_length_c   3.24
_cell_angle_alpha   80.16
_cell_angle_beta   76.77
_cell_angle_gamma   23.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBiPb
_chemical_formula_sum   'Ti1 Bi1 Pb1'
_cell_volume   80.32
_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  0.11  0.46  0.31  1.0
  Bi  Bi0  1  0.11  0.46  0.45  1.0
  Pb  Pb1  1  0.11  0.46  0.75  1.0

data_TiBiPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.22
_cell_length_b   15.52
_cell_length_c   3.24
_cell_angle_alpha   90.0
_cell_angle_beta   130.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiBiPb
_chemical_formula_sum   'Ti2 Bi2 Pb2'
_cell_volume   160.64
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.11  0.0  0.42  1.0
  Bi  Bi1  2  0.11  0.0  0.56  1.0
  Pb  Pb2  2  0.11  0.0  0.86  1.0

Ti Bi Pb
Ti Bi Pb 0 1 o o o 1 2 o o o 