data_Y3Sn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.43
_cell_length_b   6.43
_cell_length_c   9.55
_cell_angle_alpha   59.97
_cell_angle_beta   41.33
_cell_angle_gamma   78.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Sn2
_chemical_formula_sum   'Y6 Sn4'
_cell_volume   280.61
_cell_formula_units_Z   2
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  Y4  1  0.2  0.23  0.79  1.0
  Y  Y5  1  0.88  0.31  0.79  1.0
  Y  Y6  1  0.97  0.2  0.42  1.0
  Y  Y7  1  0.65  0.12  0.42  1.0
  Y  Y8  1  0.54  0.77  0.53  1.0
  Y  Y9  1  0.77  0.89  0.16  1.0
  Sn  Sn0  1  0.14  0.01  0.46  1.0
  Sn  Sn1  1  0.95  0.53  0.46  1.0
  Sn  Sn2  1  0.91  0.41  0.09  1.0
  Sn  Sn3  1  0.18  0.13  0.09  1.0

data_Y3Sn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.43
_cell_length_b   6.43
_cell_length_c   8.43
_cell_angle_alpha   101.3
_cell_angle_beta   101.3
_cell_angle_gamma   119.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Sn2
_chemical_formula_sum   'Y6 Sn4'
_cell_volume   280.61
_cell_formula_units_Z   2
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  0.12  0.58  0.93  1.0
  Y  Y1  1  0.2  0.58  0.6  1.0
  Y  Y2  1  0.23  0.21  0.0  1.0
  Y  Y3  1  0.31  0.21  0.33  1.0
  Y  Y4  1  0.77  0.47  0.93  1.0
  Y  Y5  1  0.89  0.84  0.07  1.0
  Sn  Sn6  1  0.01  0.54  0.4  1.0
  Sn  Sn7  1  0.13  0.91  0.74  1.0
  Sn  Sn8  1  0.41  0.91  0.0  1.0
  Sn  Sn9  1  0.53  0.54  0.6  1.0

Y Y Y Y Y Y Sn Sn Sn Sn
Y Y Y Y Y Y Sn Sn Sn Sn 0 5 - - + 0 1 - o o 0 8 - o + 0 3 o o o 0 9 o o + 1 7 o o o 1 5 o - + 2 6 + o o 2 7 o o o 2 9 + o o 3 4 o - o 3 8 o o o 3 9 + o o 4 5 o o o 8 9 + o o 