data_Co2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   152.22
_cell_angle_beta   152.22
_cell_angle_gamma   39.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2Au
_chemical_formula_sum   'Co2 Au1'
_cell_volume   40.27
_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  0.38  1.0
  Co  Co2  1  0.0  0.0  0.35  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0

data_Co2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   109.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Co2Au
_chemical_formula_sum   'Co4 Au2'
_cell_volume   80.55
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.62  1.0
  Co  Co1  2  0.0  0.0  0.65  1.0
  Au  Au2  2  0.0  0.0  0.0  1.0

Co Co Au