data_CdCo2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.83
_cell_angle_alpha   100.14
_cell_angle_beta   100.14
_cell_angle_gamma   34.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCo2Au
_chemical_formula_sum   'Cd1 Co2 Au1'
_cell_volume   60.68
_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  0.0  0.0  0.0  1.0
  Co  Co2  1  0.56  0.0  0.53  1.0
  Co  Co3  1  0.58  0.0  0.22  1.0
  Au  Au0  1  0.07  0.0  0.37  1.0

data_CdCo2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.73
_cell_length_c   4.83
_cell_angle_alpha   100.14
_cell_angle_beta   90.0
_cell_angle_gamma   107.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCo2Au
_chemical_formula_sum   'Cd1 Co2 Au1'
_cell_volume   60.68
_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  0.0  0.0  0.0  1.0
  Co  Co1  1  0.0  0.42  0.78  1.0
  Co  Co2  1  0.0  0.44  0.47  1.0
  Au  Au3  1  0.0  0.93  0.63  1.0

Cd Co Co Au
Cd Co Co Au 0 3 o o o 1 2 o o o 