data_ZnFeAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.84
_cell_angle_alpha   101.67
_cell_angle_beta   101.67
_cell_angle_gamma   33.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFeAu2
_chemical_formula_sum   'Zn1 Fe1 Au2'
_cell_volume   63.3
_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
  Zn  Zn3  1  0.49  0.0  0.6  1.0
  Fe  Fe2  1  0.29  0.0  0.3  1.0
  Au  Au0  1  0.36  0.0  0.6  1.0
  Au  Au1  1  0.87  0.0  0.33  1.0

data_ZnFeAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.84
_cell_length_c   4.92
_cell_angle_alpha   101.67
_cell_angle_beta   106.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFeAu2
_chemical_formula_sum   'Zn1 Fe1 Au2'
_cell_volume   63.3
_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
  Zn  Zn0  1  0.0  0.6  0.49  1.0
  Fe  Fe1  1  0.0  0.3  0.29  1.0
  Au  Au2  1  0.0  0.33  0.87  1.0
  Au  Au3  1  0.0  0.6  0.36  1.0

Zn Fe Au Au