data_Sr2FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   8.05
_cell_angle_alpha   101.57
_cell_angle_beta   101.57
_cell_angle_gamma   52.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2FeNi
_chemical_formula_sum   'Sr2 Fe1 Ni1'
_cell_volume   119.33
_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  0.55  0.0  0.68  1.0
  Sr  Sr3  1  0.49  0.0  0.17  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.02  0.0  0.92  1.0

data_Sr2FeNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   4.37
_cell_length_c   8.05
_cell_angle_alpha   101.57
_cell_angle_beta   90.0
_cell_angle_gamma   116.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2FeNi
_chemical_formula_sum   'Sr2 Fe1 Ni1'
_cell_volume   119.33
_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  0.0  0.45  0.32  1.0
  Sr  Sr1  1  0.0  0.51  0.83  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.0  0.98  0.08  1.0

Sr Sr Fe Ni