data_Y2TlSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65
_cell_length_b   5.19
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TlSn
_chemical_formula_sum   'Y2 Tl1 Sn1'
_cell_volume   118.82
_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  0.0  0.0  0.54  1.0
  Y  Y3  1  0.83  0.59  0.31  1.0
  Tl  Tl1  1  0.83  0.59  0.44  1.0
  Sn  Sn0  1  0.0  0.0  0.4  1.0

data_Y2TlSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   5.19
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TlSn
_chemical_formula_sum   'Y2 Tl1 Sn1'
_cell_volume   118.82
_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  0.54  1.0
  Y  Y1  1  0.83  0.59  0.31  1.0
  Tl  Tl2  1  0.83  0.59  0.44  1.0
  Sn  Sn3  1  0.0  0.0  0.4  1.0

Y Y Tl Sn
Y Y Tl Sn 0 3 o o o 1 2 o o o 