data_Ce(GeAu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   6.19
_cell_angle_alpha   137.68
_cell_angle_beta   137.68
_cell_angle_gamma   61.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce(GeAu)2
_chemical_formula_sum   'Ce1 Ge2 Au2'
_cell_volume   106.29
_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
  Ce  Ce2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.0  0.0  0.08  1.0
  Ge  Ge4  1  0.0  0.0  0.57  1.0
  Au  Au0  1  0.23  0.0  0.66  1.0
  Au  Au1  1  0.0  0.23  0.66  1.0

data_Ce(GeAu)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   6.19
_cell_angle_alpha   90.0
_cell_angle_beta   120.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ce(GeAu)2
_chemical_formula_sum   'Ce2 Ge4 Au4'
_cell_volume   212.59
_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
  Ce  Ce0  2  0.0  0.0  0.0  1.0
  Ge  Ge1  2  0.0  0.0  0.08  1.0
  Ge  Ge2  2  0.0  0.0  0.57  1.0
  Au  Au3  4  0.38  0.38  0.43  1.0

Ce Ge Ge Au Au