data_SrY2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.38
_cell_length_b   10.38
_cell_length_c   10.38
_cell_angle_alpha   22.74
_cell_angle_beta   22.74
_cell_angle_gamma   22.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrY2Si
_chemical_formula_sum   'Sr1 Y2 Si1'
_cell_volume   146.52
_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
  Sr  Sr1  1  0.0  0.0  0.16  1.0
  Y  Y2  1  0.0  0.0  0.76  1.0
  Y  Y3  1  0.0  0.0  0.55  1.0
  Si  Si0  1  0.0  0.0  0.0  1.0

data_SrY2Si
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.09
_cell_length_b   4.09
_cell_length_c   10.38
_cell_angle_alpha   90.0
_cell_angle_beta   103.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrY2Si
_chemical_formula_sum   'Sr2 Y4 Si2'
_cell_volume   293.04
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sr  Sr0  2  0.0  0.0  0.84  1.0
  Y  Y1  2  0.0  0.0  0.24  1.0
  Y  Y2  2  0.0  0.0  0.45  1.0
  Si  Si3  2  0.0  0.0  0.0  1.0

Sr Y Y Si
Sr Y Y Si 0 3 o o o 1 2 o o o 1 3 o o + 