data_Y2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   3.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2Si
_chemical_formula_sum   'Y2 Si1'
_cell_volume   68.74
_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  0.91  0.48  1.0
  Y  Y2  1  0.52  0.45  0.65  1.0
  Si  Si0  1  0.0  0.0  0.0  1.0

data_Y2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2Si
_chemical_formula_sum   'Y2 Si1'
_cell_volume   68.74
_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  0.48  0.0  0.91  1.0
  Y  Y1  1  0.65  0.52  0.45  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0

Y Y Si
Y Y Si 0 2 o + o 0 2 o + + 0 1 o + o 0 1 - o o 1 2 o o + 1 2 + + + 1 1 o o + 