data_Ru5Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27
_cell_length_b   7.49
_cell_length_c   7.49
_cell_angle_alpha   21.49
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ru5Cl
_chemical_formula_sum   'Ru5 Cl1'
_cell_volume   87.84
_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  Ru1  1  0.0  0.0  0.97  1.0
  Ru  Ru2  1  0.0  0.0  0.78  1.0
  Ru  Ru3  1  0.14  0.0  0.38  1.0
  Ru  Ru4  1  0.14  0.0  0.29  1.0
  Ru  Ru5  1  0.14  0.0  0.13  1.0
  Cl  Cl0  1  0.0  0.0  0.42  1.0

data_Ru5Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.27
_cell_length_c   7.49
_cell_angle_alpha   90.0
_cell_angle_beta   100.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ru5Cl
_chemical_formula_sum   'Ru5 Cl1'
_cell_volume   87.84
_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  0.03  0.0  0.03  1.0
  Ru  Ru1  1  0.22  0.0  0.22  1.0
  Ru  Ru2  1  0.62  0.14  0.62  1.0
  Ru  Ru3  1  0.71  0.14  0.71  1.0
  Ru  Ru4  1  0.87  0.14  0.87  1.0
  Cl  Cl5  1  0.58  0.0  0.58  1.0

Ru Ru Ru Ru Ru Cl
Ru Ru Ru Ru Ru Cl 0 1 o o o 0 4 o o + 2 5 o o o 2 3 o o o 3 4 o o o 