data_AlGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   3.85
_cell_angle_alpha   135.93
_cell_angle_beta   103.61
_cell_angle_gamma   92.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGe
_chemical_formula_sum   'Al1 Ge1'
_cell_volume   36.49
_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
  Ge  Ge1  1  0.0  0.0  0.66  1.0

data_AlGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   3.85
_cell_length_c   3.85
_cell_angle_alpha   76.39
_cell_angle_beta   67.96
_cell_angle_gamma   67.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGe
_chemical_formula_sum   'Al1 Ge1'
_cell_volume   36.49
_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
  Ge  Ge1  1  0.0  0.0  0.66  1.0

Al Ge
Al Ge 0 1 o o - 