data_YSn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   6.7
_cell_angle_alpha   103.45
_cell_angle_beta   103.45
_cell_angle_gamma   41.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSn5
_chemical_formula_sum   'Y1 Sn5'
_cell_volume   159.97
_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  Y5  1  0.46  0.0  0.8  1.0
  Sn  Sn0  1  0.08  0.0  0.35  1.0
  Sn  Sn1  1  0.17  0.0  0.48  1.0
  Sn  Sn2  1  0.03  0.0  0.62  1.0
  Sn  Sn3  1  0.64  0.0  0.5  1.0
  Sn  Sn4  1  0.53  0.0  0.65  1.0

data_YSn5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.33
_cell_length_b   6.08
_cell_length_c   6.7
_cell_angle_alpha   103.45
_cell_angle_beta   90.0
_cell_angle_gamma   110.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSn5
_chemical_formula_sum   'Y1 Sn5'
_cell_volume   159.97
_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  0.54  0.2  1.0
  Sn  Sn1  1  0.0  0.36  0.5  1.0
  Sn  Sn2  1  0.0  0.47  0.35  1.0
  Sn  Sn3  1  0.0  0.83  0.52  1.0
  Sn  Sn4  1  0.0  0.92  0.65  1.0
  Sn  Sn5  1  0.0  0.97  0.38  1.0

Y Sn Sn Sn Sn Sn
Y Sn Sn Sn Sn Sn 0 5 o o o 1 2 o o o 2 3 o o o 4 5 o o o 