data_Cd2FeAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   4.52
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   102.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2FeAu
_chemical_formula_sum   'Cd2 Fe1 Au1'
_cell_volume   72.74
_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  0.79  0.0  0.46  1.0
  Cd  Cd2  1  0.72  0.26  0.51  1.0
  Fe  Fe3  1  0.62  0.0  0.78  1.0
  Au  Au0  1  0.05  0.26  0.09  1.0

data_Cd2FeAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.52
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   102.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2FeAu
_chemical_formula_sum   'Cd2 Fe1 Au1'
_cell_volume   72.74
_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  0.72  0.26  0.51  1.0
  Cd  Cd1  1  0.79  0.0  0.46  1.0
  Fe  Fe2  1  0.62  0.0  0.78  1.0
  Au  Au3  1  0.05  0.26  0.09  1.0

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