data_MnFeAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   29.68
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeAu2
_chemical_formula_sum   'Mn1 Fe1 Au2'
_cell_volume   58.96
_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
  Mn  Mn3  1  0.0  0.0  0.12  1.0
  Fe  Fe2  1  0.09  0.0  0.94  1.0
  Au  Au0  1  0.09  0.0  0.46  1.0
  Au  Au1  1  0.0  0.0  0.92  1.0

data_MnFeAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.18
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   104.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeAu2
_chemical_formula_sum   'Mn1 Fe1 Au2'
_cell_volume   58.96
_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
  Mn  Mn0  1  0.88  0.0  0.88  1.0
  Fe  Fe1  1  0.06  0.09  0.06  1.0
  Au  Au2  1  0.08  0.0  0.08  1.0
  Au  Au3  1  0.54  0.09  0.54  1.0

Mn Fe Au Au