data_Co2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.1
_cell_length_b   8.1
_cell_length_c   8.1
_cell_angle_alpha   160.75
_cell_angle_beta   150.48
_cell_angle_gamma   35.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2Au
_chemical_formula_sum   'Co4 Au2'
_cell_volume   86.21
_cell_formula_units_Z   2
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  0.03  0.57  1.0
  Co  Co3  1  0.0  0.03  0.93  1.0
  Co  Co4  1  0.35  0.03  0.79  1.0
  Co  Co5  1  0.35  0.03  0.14  1.0
  Au  Au0  1  0.0  0.03  0.6  1.0
  Au  Au1  1  0.35  0.03  0.12  1.0

data_Co2Au
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.71
_cell_length_b   4.13
_cell_length_c   8.1
_cell_angle_alpha   104.76
_cell_angle_beta   99.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Co2Au
_chemical_formula_sum   'Co4 Au2'
_cell_volume   86.21
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.11  0.28  0.11  1.0
  Co  Co1  2  0.25  0.07  0.25  1.0
  Au  Au2  2  0.08  0.26  0.08  1.0

Co Co Co Co Au Au
Co Co Co Co Au Au 0 4 o o o 0 2 o o o 1 5 o o + 1 3 o o + 2 4 o o o 3 5 o o o 