data_Y3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43
_cell_length_b   6.43
_cell_length_c   6.43
_cell_angle_alpha   141.63
_cell_angle_beta   133.4
_cell_angle_gamma   61.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Sn
_chemical_formula_sum   'Y3 Sn1'
_cell_volume   118.7
_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  Y1  1  0.11  0.0  0.07  1.0
  Y  Y2  1  0.0  0.0  0.0  1.0
  Y  Y3  1  0.0  0.54  0.44  1.0
  Sn  Sn0  1  0.0  0.0  0.52  1.0

data_Y3Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.23
_cell_length_b   5.09
_cell_length_c   6.43
_cell_angle_alpha   113.3
_cell_angle_beta   109.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Sn
_chemical_formula_sum   'Y3 Sn1'
_cell_volume   118.7
_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  0.0  1.0
  Y  Y1  1  0.0  0.07  0.96  1.0
  Y  Y2  1  0.46  0.9  0.9  1.0
  Sn  Sn3  1  0.0  0.52  0.52  1.0

Y Y Y Sn