data_CdFe2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   4.16
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   103.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFe2Au
_chemical_formula_sum   'Cd1 Fe2 Au1'
_cell_volume   62.31
_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
  Cd  Cd1  1  0.53  0.0  0.16  1.0
  Fe  Fe2  1  0.26  0.08  0.09  1.0
  Fe  Fe3  1  0.86  0.0  0.28  1.0
  Au  Au0  1  0.99  0.08  0.59  1.0

data_CdFe2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.16
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   103.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFe2Au
_chemical_formula_sum   'Cd1 Fe2 Au1'
_cell_volume   62.31
_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
  Cd  Cd0  1  0.53  0.0  0.16  1.0
  Fe  Fe1  1  0.26  0.08  0.09  1.0
  Fe  Fe2  1  0.86  0.0  0.28  1.0
  Au  Au3  1  0.99  0.08  0.59  1.0

Cd Fe Fe Au