data_YTlPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   3.52
_cell_length_c   9.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTlPb2
_chemical_formula_sum   'Y1 Tl1 Pb2'
_cell_volume   119.17
_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  0.46  1.0
  Tl  Tl2  1  0.44  0.0  0.7  1.0
  Pb  Pb0  1  0.44  0.0  0.16  1.0
  Pb  Pb1  1  0.0  0.0  0.1  1.0

data_YTlPb2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.52
_cell_length_b   3.52
_cell_length_c   9.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   YTlPb2
_chemical_formula_sum   'Y1 Tl1 Pb2'
_cell_volume   119.28
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.46  1.0
  Tl  Tl1  1  0.44  0.0  0.7  1.0
  Pb  Pb2  1  0.0  0.0  0.1  1.0
  Pb  Pb3  1  0.44  0.0  0.16  1.0

Y Tl Pb Pb