data_TiBPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   4.88
_cell_angle_alpha   111.09
_cell_angle_beta   111.09
_cell_angle_gamma   31.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBPb2
_chemical_formula_sum   'Ti1 B1 Pb2'
_cell_volume   95.02
_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  0.59  0.0  0.87  1.0
  B  B0  1  0.42  0.0  0.04  1.0
  Pb  Pb1  1  0.51  0.0  0.4  1.0
  Pb  Pb2  1  0.65  0.0  1.0  1.0

data_TiBPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   4.88
_cell_length_c   6.38
_cell_angle_alpha   111.09
_cell_angle_beta   105.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBPb2
_chemical_formula_sum   'Ti1 B1 Pb2'
_cell_volume   95.02
_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  0.87  0.59  1.0
  B  B1  1  0.0  0.04  0.42  1.0
  Pb  Pb2  1  0.0  0.4  0.51  1.0
  Pb  Pb3  1  0.0  1.0  0.65  1.0

Ti B Pb Pb
Ti B Pb Pb 0 3 o o o 0 1 o o + 1 3 o o - 1 2 o o o 