data_CoCu2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   143.73
_cell_angle_beta   129.16
_cell_angle_gamma   64.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCu2Au
_chemical_formula_sum   'Co1 Cu2 Au1'
_cell_volume   54.16
_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  Co1  1  0.0  0.0  0.35  1.0
  Cu  Cu2  1  0.53  0.0  0.01  1.0
  Cu  Cu3  1  0.0  0.0  0.99  1.0
  Au  Au0  1  0.53  0.0  0.17  1.0

data_CoCu2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.23
_cell_length_c   4.93
_cell_angle_alpha   115.42
_cell_angle_beta   108.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCu2Au
_chemical_formula_sum   'Co1 Cu2 Au1'
_cell_volume   54.16
_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  0.65  0.65  0.65  1.0
  Cu  Cu1  1  0.01  0.01  0.01  1.0
  Cu  Cu2  1  0.52  0.99  0.52  1.0
  Au  Au3  1  0.36  0.83  0.36  1.0

Co Cu Cu Au