data_Sr2SnRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.8
_cell_length_b   3.9
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   91.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2SnRu
_chemical_formula_sum   'Sr2 Sn1 Ru1'
_cell_volume   110.76
_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  Sr2  1  0.82  0.95  0.79  1.0
  Sr  Sr3  1  0.84  0.95  0.67  1.0
  Sn  Sn1  1  0.93  0.0  0.73  1.0
  Ru  Ru0  1  0.0  0.0  0.0  1.0

data_Sr2SnRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   3.9
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   91.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2SnRu
_chemical_formula_sum   'Sr2 Sn1 Ru1'
_cell_volume   110.76
_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  0.82  0.95  0.79  1.0
  Sr  Sr1  1  0.84  0.95  0.67  1.0
  Sn  Sn2  1  0.93  0.0  0.73  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Sr Sr Sn Ru
Sr Sr Sn Ru 0 2 o + o 0 3 + + + 1 2 o + o 2 3 + o + 