data_Y3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58
_cell_length_b   3.58
_cell_length_c   10.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Sn
_chemical_formula_sum   'Y3 Sn1'
_cell_volume   121.87
_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  0.0  0.0  0.0  1.0
  Y  Y2  1  0.79  0.03  0.05  1.0
  Y  Y3  1  0.79  0.03  0.92  1.0
  Sn  Sn0  1  0.0  0.0  0.48  1.0

data_Y3Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   3.58
_cell_length_c   10.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Sn
_chemical_formula_sum   'Y3 Sn1'
_cell_volume   121.87
_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  0.79  0.03  0.05  1.0
  Y  Y2  1  0.79  0.03  0.92  1.0
  Sn  Sn3  1  0.0  0.0  0.48  1.0

Y Y Y Sn
Y Y Y Sn 0 1 - o o 0 2 - o - 1 2 o o - 3 3 + + o 3 3 o + o 3 3 + o o 