data_Fe2SnAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   136.05
_cell_angle_beta   131.15
_cell_angle_gamma   67.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2SnAu
_chemical_formula_sum   'Fe2 Sn1 Au1'
_cell_volume   63.44
_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  0.86  0.0  0.05  1.0
  Fe  Fe2  1  0.0  0.06  0.08  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.13  1.0

data_Fe2SnAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   4.12
_cell_length_c   4.98
_cell_angle_alpha   114.43
_cell_angle_beta   111.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2SnAu
_chemical_formula_sum   'Fe2 Sn1 Au1'
_cell_volume   63.44
_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  Fe0  1  0.0  0.05  0.19  1.0
  Fe  Fe1  1  0.94  0.02  0.02  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.13  0.13  1.0

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