data_FeSb2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   6.25
_cell_angle_alpha   102.52
_cell_angle_beta   102.52
_cell_angle_gamma   48.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSb2Au
_chemical_formula_sum   'Fe1 Sb2 Au1'
_cell_volume   84.6
_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  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.94  0.0  0.77  1.0
  Sb  Sb3  1  0.47  0.0  0.29  1.0
  Au  Au0  1  0.2  0.0  0.03  1.0

data_FeSb2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   4.32
_cell_length_c   6.25
_cell_angle_alpha   102.52
_cell_angle_beta   90.0
_cell_angle_gamma   114.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSb2Au
_chemical_formula_sum   'Fe1 Sb2 Au1'
_cell_volume   84.6
_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  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.06  0.23  1.0
  Sb  Sb2  1  0.0  0.53  0.71  1.0
  Au  Au3  1  0.0  0.8  0.97  1.0

Fe Sb Sb Au
Fe Sb Sb Au 0 3 o o o 0 1 - o - 2 3 o o o 