data_SnRuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   6.09
_cell_angle_alpha   148.55
_cell_angle_beta   148.55
_cell_angle_gamma   45.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnRuCl
_chemical_formula_sum   'Sn1 Ru1 Cl1'
_cell_volume   61.15
_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
  Sn  Sn2  1  0.0  0.0  0.9  1.0
  Ru  Ru1  1  0.0  0.0  0.58  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_SnRuCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   6.09
_cell_angle_alpha   90.0
_cell_angle_beta   112.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SnRuCl
_chemical_formula_sum   'Sn2 Ru2 Cl2'
_cell_volume   122.31
_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
  Sn  Sn0  2  0.4  0.5  0.9  1.0
  Ru  Ru1  2  0.08  0.5  0.58  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

Sn Ru Cl
Sn Ru Cl 0 2 o o + 0 1 o o o 