data_AlCd2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   135.51
_cell_angle_beta   134.58
_cell_angle_gamma   65.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCd2Au
_chemical_formula_sum   'Al1 Cd2 Au1'
_cell_volume   78.62
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.05  0.0  0.44  1.0
  Cd  Cd3  1  0.0  0.1  0.12  1.0
  Au  Au1  1  0.0  0.0  0.57  1.0

data_AlCd2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   4.19
_cell_length_c   5.43
_cell_angle_alpha   112.71
_cell_angle_beta   112.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCd2Au
_chemical_formula_sum   'Al1 Cd2 Au1'
_cell_volume   78.62
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.44  0.39  1.0
  Cd  Cd2  1  0.9  0.03  0.03  1.0
  Au  Au3  1  0.0  0.57  0.57  1.0

Al Cd Cd Au