data_RuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   6.53
_cell_angle_alpha   154.14
_cell_angle_beta   120.43
_cell_angle_gamma   66.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuCl
_chemical_formula_sum   'Ru3 Cl3'
_cell_volume   104.0
_cell_formula_units_Z   3
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  0.46  0.97  0.88  1.0
  Ru  Ru4  1  0.46  0.03  0.88  1.0
  Ru  Ru5  1  0.0  0.25  0.17  1.0
  Cl  Cl0  1  0.0  0.0  0.15  1.0
  Cl  Cl1  1  0.0  0.61  0.98  1.0
  Cl  Cl2  1  0.46  0.64  0.5  1.0

data_RuCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   6.49
_cell_length_c   6.53
_cell_angle_alpha   119.78
_cell_angle_beta   102.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuCl
_chemical_formula_sum   'Ru3 Cl3'
_cell_volume   104.0
_cell_formula_units_Z   3
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  0.92  0.45  1.0
  Ru  Ru1  1  0.75  0.92  0.92  1.0
  Ru  Ru2  1  0.97  0.85  0.39  1.0
  Cl  Cl3  1  0.0  0.15  0.15  1.0
  Cl  Cl4  1  0.36  0.87  0.4  1.0
  Cl  Cl5  1  0.39  0.37  0.37  1.0

Ru Ru Ru Cl Cl Cl