data_CoCuAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   4.64
_cell_angle_alpha   129.56
_cell_angle_beta   127.74
_cell_angle_gamma   75.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCuAu2
_chemical_formula_sum   'Co1 Cu1 Au2'
_cell_volume   59.31
_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
  Co  Co2  1  0.0  0.0  0.0  1.0
  Cu  Cu3  1  0.0  0.0  0.67  1.0
  Au  Au0  1  0.98  0.0  0.84  1.0
  Au  Au1  1  0.0  0.04  0.83  1.0

data_CoCuAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   4.09
_cell_length_c   4.64
_cell_angle_alpha   116.13
_cell_angle_beta   115.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCuAu2
_chemical_formula_sum   'Co1 Cu1 Au2'
_cell_volume   59.31
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.67  0.67  1.0
  Au  Au2  1  0.0  0.84  0.86  1.0
  Au  Au3  1  0.96  0.78  0.78  1.0

Co Cu Au Au