data_Sr2LiY
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.8
_cell_length_b   6.15
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   98.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2LiY
_chemical_formula_sum   'Sr2 Li1 Y1'
_cell_volume   159.78
_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  0.82  0.08  0.65  1.0
  Sr  Sr2  1  0.66  0.0  0.97  1.0
  Li  Li0  1  0.4  0.0  0.11  1.0
  Y  Y3  1  0.14  0.08  0.35  1.0

data_Sr2LiY
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   6.15
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   98.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2LiY
_chemical_formula_sum   'Sr2 Li1 Y1'
_cell_volume   159.78
_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  Sr0  1  0.66  0.0  0.97  1.0
  Sr  Sr1  1  0.82  0.08  0.65  1.0
  Li  Li2  1  0.4  0.0  0.11  1.0
  Y  Y3  1  0.14  0.08  0.35  1.0

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