data_YTl2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   3.5
_cell_angle_alpha   100.33
_cell_angle_beta   100.33
_cell_angle_gamma   117.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTl2Pb
_chemical_formula_sum   'Y1 Tl2 Pb1'
_cell_volume   117.38
_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  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.03  0.28  0.64  1.0
  Tl  Tl2  1  0.03  0.72  0.64  1.0
  Pb  Pb0  1  0.28  0.0  0.0  1.0

data_YTl2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   6.28
_cell_length_c   6.36
_cell_angle_alpha   116.11
_cell_angle_beta   100.33
_cell_angle_gamma   101.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTl2Pb
_chemical_formula_sum   'Y1 Tl2 Pb1'
_cell_volume   117.38
_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  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.36  0.72  0.76  1.0
  Tl  Tl2  1  0.92  0.28  0.31  1.0
  Pb  Pb3  1  0.0  0.0  0.28  1.0

Y Tl Tl Pb