data_Ba2FeSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.0
_cell_length_b   4.11
_cell_length_c   8.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2FeSn
_chemical_formula_sum   'Ba2 Fe1 Sn1'
_cell_volume   145.23
_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
  Ba  Ba0  1  1.0  0.06  0.72  1.0
  Ba  Ba1  1  1.0  0.06  0.12  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.42  1.0

data_Ba2FeSn
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.11
_cell_length_b   4.0
_cell_length_c   8.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ba2FeSn
_chemical_formula_sum   'Ba2 Fe1 Sn1'
_cell_volume   145.23
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ba  Ba0  1  0.06  0.0  0.12  1.0
  Ba  Ba1  1  0.06  0.0  0.72  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.42  1.0

Ba Ba Fe Sn
Ba Ba Fe Sn 0 3 + o o 0 2 + o + 1 2 + o o 1 3 + o o 