data_AlGeRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.33
_cell_angle_alpha   103.45
_cell_angle_beta   103.45
_cell_angle_gamma   35.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGeRh2
_chemical_formula_sum   'Al1 Ge1 Rh2'
_cell_volume   57.04
_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  0.01  0.0  0.38  1.0
  Ge  Ge1  1  0.69  0.0  0.76  1.0
  Rh  Rh2  1  0.02  0.0  0.31  1.0
  Rh  Rh3  1  0.49  0.0  0.84  1.0

data_AlGeRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.33
_cell_length_c   4.83
_cell_angle_alpha   103.45
_cell_angle_beta   107.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGeRh2
_chemical_formula_sum   'Al1 Ge1 Rh2'
_cell_volume   57.04
_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  0.38  0.01  1.0
  Ge  Ge1  1  0.0  0.76  0.69  1.0
  Rh  Rh2  1  0.0  0.31  0.02  1.0
  Rh  Rh3  1  0.0  0.84  0.49  1.0

Al Ge Rh Rh
Al Ge Rh Rh 0 2 o o o 1 3 o o o 