data_Ge2RuRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   5.16
_cell_angle_alpha   102.01
_cell_angle_beta   102.01
_cell_angle_gamma   41.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2RuRh
_chemical_formula_sum   'Ge2 Ru1 Rh1'
_cell_volume   59.46
_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
  Ge  Ge0  1  0.12  0.0  0.8  1.0
  Ge  Ge1  1  0.64  0.0  0.23  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.38  0.0  0.51  1.0

data_Ge2RuRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.23
_cell_length_c   5.16
_cell_angle_alpha   102.01
_cell_angle_beta   90.0
_cell_angle_gamma   110.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2RuRh
_chemical_formula_sum   'Ge2 Ru1 Rh1'
_cell_volume   59.46
_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
  Ge  Ge0  1  0.0  0.36  0.77  1.0
  Ge  Ge1  1  0.0  0.88  0.2  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.62  0.49  1.0

Ge Ge Ru Rh
Ge Ge Ru Rh 0 2 o o + 0 3 o o o 1 3 o o o 1 2 + o o 