data_YTl2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48
_cell_length_b   3.48
_cell_length_c   10.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTl2Pb
_chemical_formula_sum   'Y1 Tl2 Pb1'
_cell_volume   122.58
_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  0.41  1.0
  Tl  Tl1  1  0.0  0.0  0.74  1.0
  Tl  Tl2  1  0.99  0.0  0.01  1.0
  Pb  Pb0  1  0.99  0.0  0.79  1.0

data_YTl2Pb
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   3.98
_cell_length_b   5.72
_cell_length_c   10.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   YTl2Pb
_chemical_formula_sum   'Y2 Tl4 Pb2'
_cell_volume   245.17
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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  0.0  0.0  0.59  1.0
  Tl  Tl1  2  0.0  0.0  0.26  1.0
  Tl  Tl2  2  0.0  0.0  0.99  1.0
  Pb  Pb3  2  0.0  0.0  0.21  1.0

Y Tl Tl Pb