data_YSi2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.5
_cell_angle_alpha   118.86
_cell_angle_beta   118.86
_cell_angle_gamma   38.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSi2Sn
_chemical_formula_sum   'Y1 Si2 Sn1'
_cell_volume   91.34
_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  Y3  1  0.0  0.0  0.0  1.0
  Si  Si0  1  0.78  0.0  0.04  1.0
  Si  Si1  1  0.91  0.0  0.68  1.0
  Sn  Sn2  1  0.85  0.0  0.36  1.0

data_YSi2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   5.5
_cell_length_c   5.57
_cell_angle_alpha   118.86
_cell_angle_beta   109.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSi2Sn
_chemical_formula_sum   'Y1 Si2 Sn1'
_cell_volume   91.34
_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
  Si  Si1  1  0.0  0.04  0.78  1.0
  Si  Si2  1  0.0  0.68  0.91  1.0
  Sn  Sn3  1  0.0  0.36  0.85  1.0

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