data_Al2FeGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   132.01
_cell_angle_beta   132.01
_cell_angle_gamma   70.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2FeGe
_chemical_formula_sum   'Al2 Fe1 Ge1'
_cell_volume   55.47
_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  0.0  0.0  0.0  1.0
  Al  Al1  1  0.9  0.0  0.91  1.0
  Fe  Fe2  1  0.0  0.0  0.83  1.0
  Ge  Ge3  1  0.0  0.9  0.91  1.0

data_Al2FeGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   3.81
_cell_length_c   4.68
_cell_angle_alpha   113.99
_cell_angle_beta   113.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2FeGe
_chemical_formula_sum   'Al2 Fe1 Ge1'
_cell_volume   55.47
_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  0.0  0.0  0.0  1.0
  Al  Al1  1  0.09  0.0  0.99  1.0
  Fe  Fe2  1  0.17  0.0  0.17  1.0
  Ge  Ge3  1  0.99  0.9  0.99  1.0

Al Al Fe Ge
Al Al Fe Ge 0 1 - o - 0 3 o - - 0 2 o o - 1 2 + o o 2 3 o - o 