data_SrY2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63
_cell_length_b   10.93
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrY2
_chemical_formula_sum   'Sr2 Y4'
_cell_volume   220.43
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Sr  Sr1  1  0.81  0.47  0.78  1.0
  Y  Y2  1  0.17  0.56  0.0  1.0
  Y  Y3  1  0.46  0.37  0.0  1.0
  Y  Y4  1  0.36  0.9  0.78  1.0
  Y  Y5  1  0.27  0.03  0.78  1.0

data_SrY2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   5.56
_cell_length_c   10.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrY2
_chemical_formula_sum   'Sr2 Y4'
_cell_volume   220.43
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Sr  Sr1  1  0.19  0.22  0.53  1.0
  Y  Y2  1  0.54  -0.0  0.63  1.0
  Y  Y3  1  0.64  0.22  0.1  1.0
  Y  Y4  1  0.73  0.22  0.97  1.0
  Y  Y5  1  0.83  -0.0  0.44  1.0

Sr Sr Y Y Y Y
Sr Sr Y Y Y Y 0 5 o o - 1 3 o o + 1 2 + o + 2 3 o o o 4 5 o + o 