data_RuRh2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   127.92
_cell_angle_beta   127.92
_cell_angle_gamma   76.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuRh2Cl
_chemical_formula_sum   'Ru1 Rh2 Cl1'
_cell_volume   59.48
_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  0.0  0.62  1.0
  Rh  Rh1  1  0.03  0.0  0.81  1.0
  Rh  Rh2  1  0.0  0.03  0.81  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_RuRh2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   4.62
_cell_angle_alpha   90.0
_cell_angle_beta   128.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   RuRh2Cl
_chemical_formula_sum   'Ru2 Rh4 Cl2'
_cell_volume   118.96
_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
  Ru  Ru0  2  0.38  0.0  0.38  1.0
  Rh  Rh1  4  0.2  0.01  0.22  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

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