data_AlReGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85
_cell_length_b   6.63
_cell_length_c   2.84
_cell_angle_alpha   82.27
_cell_angle_beta   73.53
_cell_angle_gamma   24.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlReGe
_chemical_formula_sum   'Al1 Re1 Ge1'
_cell_volume   48.08
_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  0.59  0.35  0.78  1.0
  Re  Re2  1  0.59  0.35  0.31  1.0
  Ge  Ge1  1  0.59  0.35  0.67  1.0

data_AlReGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.18
_cell_length_b   12.88
_cell_length_c   2.84
_cell_angle_alpha   90.0
_cell_angle_beta   124.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlReGe
_chemical_formula_sum   'Al2 Re2 Ge2'
_cell_volume   96.16
_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
  Al  Al0  2  0.09  0.5  0.37  1.0
  Re  Re1  2  0.09  0.5  0.9  1.0
  Ge  Ge2  2  0.09  0.5  0.26  1.0

Al Re Ge
Al Re Ge 0 2 o o o 1 2 o o o 