data_LiY2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   6.38
_cell_angle_alpha   98.23
_cell_angle_beta   98.23
_cell_angle_gamma   37.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiY2Sn
_chemical_formula_sum   'Li1 Y2 Sn1'
_cell_volume   111.53
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Y  Y2  1  0.76  0.0  0.66  1.0
  Y  Y3  1  0.44  0.0  0.64  1.0
  Sn  Sn1  1  0.6  0.0  0.15  1.0

data_LiY2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   5.37
_cell_length_c   6.38
_cell_angle_alpha   98.23
_cell_angle_beta   90.0
_cell_angle_gamma   108.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiY2Sn
_chemical_formula_sum   'Li1 Y2 Sn1'
_cell_volume   111.53
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Y  Y1  1  0.0  0.24  0.34  1.0
  Y  Y2  1  0.0  0.56  0.36  1.0
  Sn  Sn3  1  0.0  0.4  0.85  1.0

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