data_Fe2SnAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   4.0
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2SnAu
_chemical_formula_sum   'Fe2 Sn1 Au1'
_cell_volume   64.53
_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
  Fe  Fe1  1  0.46  1.0  0.11  1.0
  Fe  Fe2  1  0.46  1.0  0.42  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.77  1.0

data_Fe2SnAu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.92
_cell_length_b   4.0
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Fe2SnAu
_chemical_formula_sum   'Fe2 Sn1 Au1'
_cell_volume   64.53
_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
  Fe  Fe0  1  0.46  0.0  0.11  1.0
  Fe  Fe1  1  0.46  0.0  0.42  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.0  0.77  1.0

Fe Fe Sn Au
Fe Fe Sn Au 0 2 o + o 0 2 + + o 0 1 o o o 2 3 o o - 