data_CoGeAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   5.88
_cell_angle_alpha   99.78
_cell_angle_beta   99.78
_cell_angle_gamma   41.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoGeAu2
_chemical_formula_sum   'Co1 Ge1 Au2'
_cell_volume   65.97
_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  0.35  0.0  0.57  1.0
  Ge  Ge3  1  0.56  0.0  0.79  1.0
  Au  Au0  1  1.0  0.0  0.15  1.0
  Au  Au1  1  0.09  0.0  0.16  1.0

data_CoGeAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.14
_cell_length_c   5.88
_cell_angle_alpha   99.78
_cell_angle_beta   90.0
_cell_angle_gamma   110.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoGeAu2
_chemical_formula_sum   'Co1 Ge1 Au2'
_cell_volume   65.97
_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  0.65  0.43  1.0
  Ge  Ge1  1  0.0  0.44  0.21  1.0
  Au  Au2  1  0.0  0.0  0.85  1.0
  Au  Au3  1  0.0  0.91  0.84  1.0

Co Ge Au Au