data_SrFeSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55
_cell_length_b   3.55
_cell_length_c   7.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFeSn2
_chemical_formula_sum   'Sr1 Fe1 Sn2'
_cell_volume   97.4
_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  Sr3  1  0.78  0.78  0.02  1.0
  Fe  Fe0  1  0.0  0.0  0.46  1.0
  Sn  Sn1  1  0.78  0.78  0.26  1.0
  Sn  Sn2  1  0.0  0.0  0.54  1.0

data_SrFeSn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   7.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrFeSn2
_chemical_formula_sum   'Sr2 Fe2 Sn4'
_cell_volume   194.81
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.28  0.5  0.02  1.0
  Fe  Fe1  2  0.0  0.0  0.46  1.0
  Sn  Sn2  2  0.0  0.0  0.54  1.0
  Sn  Sn3  2  0.28  0.5  0.26  1.0

Sr Fe Sn Sn
Sr Fe Sn Sn 0 2 o o o 1 3 o o o 1 2 - - o 