data_Co4Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   144.15
_cell_angle_beta   144.15
_cell_angle_gamma   51.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co4Au
_chemical_formula_sum   'Co4 Au1'
_cell_volume   66.53
_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  0.78  0.0  0.61  1.0
  Co  Co2  1  0.0  0.0  0.09  1.0
  Co  Co3  1  0.0  0.0  0.35  1.0
  Co  Co4  1  0.0  0.78  0.61  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0

data_Co4Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   115.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Co4Au
_chemical_formula_sum   'Co8 Au2'
_cell_volume   133.07
_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  4  0.39  0.39  0.17  1.0
  Co  Co1  2  0.0  0.0  0.65  1.0
  Co  Co2  2  0.0  0.0  0.91  1.0
  Au  Au3  2  0.0  0.0  0.0  1.0

Co Co Co Co Au