data_BaTi2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   6.42
_cell_angle_alpha   99.66
_cell_angle_beta   99.66
_cell_angle_gamma   34.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTi2Pb
_chemical_formula_sum   'Ba1 Ti2 Pb1'
_cell_volume   109.47
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Ti  Ti2  1  0.8  0.0  0.15  1.0
  Ti  Ti3  1  0.68  0.0  0.17  1.0
  Pb  Pb1  1  0.74  0.0  0.16  1.0

data_BaTi2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   5.55
_cell_length_c   6.42
_cell_angle_alpha   99.66
_cell_angle_beta   90.0
_cell_angle_gamma   107.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTi2Pb
_chemical_formula_sum   'Ba1 Ti2 Pb1'
_cell_volume   109.47
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.0  0.2  0.85  1.0
  Ti  Ti2  1  0.0  0.32  0.83  1.0
  Pb  Pb3  1  0.0  0.26  0.84  1.0

Ba Ti Ti Pb