data_AlCu2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   4.66
_cell_length_c   4.47
_cell_angle_alpha   90.0
_cell_angle_beta   96.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu2Ge
_chemical_formula_sum   'Al1 Cu2 Ge1'
_cell_volume   58.66
_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
  Al  Al0  1  0.71  0.0  0.43  1.0
  Cu  Cu1  1  0.59  0.33  0.39  1.0
  Cu  Cu2  1  0.69  0.0  0.1  1.0
  Ge  Ge3  1  0.08  0.33  0.2  1.0

data_AlCu2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.47
_cell_length_c   4.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu2Ge
_chemical_formula_sum   'Al1 Cu2 Ge1'
_cell_volume   58.66
_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
  Al  Al0  1  0.29  0.57  0.0  1.0
  Cu  Cu1  1  0.31  0.9  0.0  1.0
  Cu  Cu2  1  0.41  0.61  0.67  1.0
  Ge  Ge3  1  0.92  0.8  0.67  1.0

Al Cu Cu Ge