data_SrRu2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   3.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   130.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrRu2Cl
_chemical_formula_sum   'Sr1 Ru2 Cl1'
_cell_volume   84.77
_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
  Sr  Sr3  1  0.56  0.0  0.0  1.0
  Ru  Ru1  1  0.28  0.75  0.5  1.0
  Ru  Ru2  1  0.28  0.25  0.5  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_SrRu2Cl
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.12
_cell_length_b   3.01
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   114.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SrRu2Cl
_chemical_formula_sum   'Sr1 Ru2 Cl1'
_cell_volume   84.77
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Sr  Sr0  1  0.0  0.0  0.44  1.0
  Ru  Ru1  1  0.25  0.5  0.97  1.0
  Ru  Ru2  1  0.75  0.5  0.47  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Sr Ru Ru Cl
Sr Ru Ru Cl 0 1 o - - 0 1 o - o 2 3 o o o 2 3 o o + 