data_Y3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.3
_cell_length_b   6.3
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   79.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Si
_chemical_formula_sum   'Y6 Si2'
_cell_volume   215.27
_cell_formula_units_Z   2
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  Y2  1  0.83  0.76  0.13  1.0
  Y  Y3  1  0.83  0.24  0.38  1.0
  Y  Y4  1  0.69  0.03  0.13  1.0
  Y  Y5  1  0.97  0.97  0.38  1.0
  Y  Y6  1  0.97  0.03  0.13  1.0
  Y  Y7  1  0.69  0.97  0.38  1.0
  Si  Si0  1  0.83  0.33  0.38  1.0
  Si  Si1  1  0.83  0.67  0.13  1.0

data_Y3Si
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.51
_cell_length_b   6.3
_cell_length_c   6.3
_cell_angle_alpha   100.13
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Y3Si
_chemical_formula_sum   'Y6 Si2'
_cell_volume   215.27
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.38  0.36  0.03  1.0
  Y  Y1  2  0.38  0.5  0.76  1.0
  Y  Y2  2  0.38  0.64  0.03  1.0
  Si  Si3  2  0.38  0.5  0.67  1.0

Y Y Y Y Y Y Si Si