data_Sr2NiSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   3.89
_cell_angle_alpha   90.7
_cell_angle_beta   90.7
_cell_angle_gamma   93.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2NiSn
_chemical_formula_sum   'Sr2 Ni1 Sn1'
_cell_volume   118.05
_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  0.85  0.99  0.95  1.0
  Sr  Sr3  1  0.85  0.01  0.95  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.77  0.0  0.0  1.0

data_Sr2NiSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   93.87
_cell_angle_beta   90.7
_cell_angle_gamma   90.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2NiSn
_chemical_formula_sum   'Sr2 Ni1 Sn1'
_cell_volume   118.05
_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  0.95  0.85  0.01  1.0
  Sr  Sr1  1  0.95  0.85  0.99  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  -0.0  0.77  0.0  1.0

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