data_RuRh2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   4.52
_cell_angle_alpha   125.38
_cell_angle_beta   125.38
_cell_angle_gamma   80.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuRh2Cl
_chemical_formula_sum   'Ru1 Rh2 Cl1'
_cell_volume   59.18
_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
  Ru  Ru3  1  0.0  0.07  0.72  1.0
  Rh  Rh1  1  0.07  0.0  0.72  1.0
  Rh  Rh2  1  0.0  0.0  0.44  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_RuRh2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   4.15
_cell_length_c   4.52
_cell_angle_alpha   117.31
_cell_angle_beta   117.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuRh2Cl
_chemical_formula_sum   'Ru1 Rh2 Cl1'
_cell_volume   59.18
_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
  Ru  Ru0  1  0.35  0.07  0.35  1.0
  Rh  Rh1  1  0.28  0.0  0.35  1.0
  Rh  Rh2  1  0.56  0.0  0.56  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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