data_ZnRuCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   9.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   124.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnRuCl2
_chemical_formula_sum   'Zn1 Ru1 Cl2'
_cell_volume   80.8
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.0  0.79  1.0
  Cl  Cl0  1  0.49  0.0  0.95  1.0
  Cl  Cl1  1  0.49  0.0  0.62  1.0

data_ZnRuCl2
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.98
_cell_length_b   9.57
_cell_length_c   3.2
_cell_angle_alpha   90.0
_cell_angle_beta   117.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   ZnRuCl2
_chemical_formula_sum   'Zn1 Ru1 Cl2'
_cell_volume   80.8
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.21  0.0  1.0
  Cl  Cl2  1  0.0  0.05  0.5  1.0
  Cl  Cl3  1  0.0  0.38  0.5  1.0

Zn Ru Cl Cl
Zn Ru Cl Cl 0 2 - o - 0 2 o o - 0 1 o o - 1 3 - o o 1 3 o o o 1 2 - o o 1 2 o o o 