data_CrCdAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   132.5
_cell_angle_beta   132.5
_cell_angle_gamma   69.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCdAu2
_chemical_formula_sum   'Cr1 Cd1 Au2'
_cell_volume   72.41
_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
  Cr  Cr3  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.07  0.0  0.11  1.0
  Au  Au0  1  0.0  0.07  0.11  1.0
  Au  Au1  1  0.0  0.0  0.22  1.0

data_CrCdAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   5.14
_cell_angle_alpha   113.75
_cell_angle_beta   113.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCdAu2
_chemical_formula_sum   'Cr1 Cd1 Au2'
_cell_volume   72.41
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.11  0.04  0.04  1.0
  Au  Au2  1  0.04  0.11  0.04  1.0
  Au  Au3  1  0.22  0.22  0.22  1.0

Cr Cd Au Au
Cr Cd Au Au 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o o 2 3 o o o 