data_YSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.8
_cell_length_b   6.8
_cell_length_c   7.7
_cell_angle_alpha   109.32
_cell_angle_beta   109.32
_cell_angle_gamma   31.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSn
_chemical_formula_sum   'Y3 Sn3'
_cell_volume   172.8
_cell_formula_units_Z   3
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  0.91  0.0  0.45  1.0
  Y  Y4  1  0.34  0.0  0.92  1.0
  Y  Y5  1  0.56  0.0  0.03  1.0
  Sn  Sn0  1  0.92  0.0  0.23  1.0
  Sn  Sn1  1  0.83  0.0  0.78  1.0
  Sn  Sn2  1  0.89  0.0  0.25  1.0

data_YSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   6.8
_cell_length_c   7.7
_cell_angle_alpha   109.32
_cell_angle_beta   90.0
_cell_angle_gamma   105.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSn
_chemical_formula_sum   'Y3 Sn3'
_cell_volume   172.8
_cell_formula_units_Z   3
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  0.09  0.55  1.0
  Y  Y1  1  0.0  0.44  0.97  1.0
  Y  Y2  1  0.0  0.66  0.08  1.0
  Sn  Sn3  1  0.0  0.08  0.77  1.0
  Sn  Sn4  1  0.0  0.11  0.75  1.0
  Sn  Sn5  1  0.0  0.17  0.22  1.0

Y Y Y Sn Sn Sn