data_YTl2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   136.61
_cell_angle_beta   136.61
_cell_angle_gamma   63.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTl2Sn
_chemical_formula_sum   'Y1 Tl2 Sn1'
_cell_volume   108.31
_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  0.0  0.27  0.62  1.0
  Tl  Tl2  1  0.27  0.0  0.62  1.0
  Sn  Sn0  1  0.0  0.0  0.24  1.0

data_YTl2Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.43
_cell_length_b   6.43
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   121.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTl2Sn
_chemical_formula_sum   'Y2 Tl4 Sn2'
_cell_volume   216.62
_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+1/2, y+1/2, z'
  4  '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  0.0  1.0
  Tl  Tl1  4  0.02  0.36  0.65  1.0
  Sn  Sn2  2  0.26  0.5  0.76  1.0

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