data_SiRu2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   141.74
_cell_angle_beta   141.74
_cell_angle_gamma   55.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiRu2Cl
_chemical_formula_sum   'Si1 Ru2 Cl1'
_cell_volume   58.6
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.0  0.75  1.0
  Ru  Ru2  1  0.0  0.76  0.37  1.0
  Cl  Cl0  1  0.76  0.0  0.37  1.0

data_SiRu2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   3.51
_cell_length_c   5.36
_cell_angle_alpha   109.13
_cell_angle_beta   109.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiRu2Cl
_chemical_formula_sum   'Si1 Ru2 Cl1'
_cell_volume   58.6
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.25  0.0  0.25  1.0
  Ru  Ru2  1  0.38  0.76  0.38  1.0
  Cl  Cl3  1  0.63  0.0  0.38  1.0

Si Ru Ru Cl