data_YTiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58
_cell_length_b   6.45
_cell_length_c   3.54
_cell_angle_alpha   76.34
_cell_angle_beta   72.15
_cell_angle_gamma   31.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTiPb
_chemical_formula_sum   'Y1 Ti1 Pb1'
_cell_volume   74.6
_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
  Y  Y2  1  0.32  0.67  0.1  1.0
  Ti  Ti1  1  0.32  0.67  0.11  1.0
  Pb  Pb0  1  0.32  0.67  0.85  1.0

data_YTiPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.64
_cell_length_b   12.03
_cell_length_c   3.54
_cell_angle_alpha   90.0
_cell_angle_beta   130.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTiPb
_chemical_formula_sum   'Y2 Ti2 Pb2'
_cell_volume   149.2
_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
  Y  Y0  2  0.41  0.5  0.58  1.0
  Ti  Ti1  2  0.4  0.5  0.57  1.0
  Pb  Pb2  2  0.16  0.0  0.83  1.0

Y Ti Pb