data_YTl2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   5.63
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   91.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTl2Pb
_chemical_formula_sum   'Y1 Tl2 Pb1'
_cell_volume   115.55
_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  Y3  1  0.14  0.0  0.52  1.0
  Tl  Tl1  1  0.45  0.0  0.37  1.0
  Tl  Tl2  1  0.23  0.82  0.63  1.0
  Pb  Pb0  1  0.32  0.82  0.76  1.0

data_YTl2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   5.63
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   91.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTl2Pb
_chemical_formula_sum   'Y1 Tl2 Pb1'
_cell_volume   115.55
_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  Y0  1  0.14  0.0  0.52  1.0
  Tl  Tl1  1  0.23  0.82  0.63  1.0
  Tl  Tl2  1  0.45  0.0  0.37  1.0
  Pb  Pb3  1  0.32  0.82  0.76  1.0

Y Tl Tl Pb
Y Tl Tl Pb 0 2 o - o 0 1 o o o 2 3 o o o 