data_Ag2RuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   2.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2RuCl
_chemical_formula_sum   'Ag2 Ru1 Cl1'
_cell_volume   69.71
_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
  Ag  Ag0  1  0.34  0.7  0.41  1.0
  Ag  Ag1  1  0.34  0.3  0.41  1.0
  Ru  Ru3  1  0.68  0.0  0.0  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_Ag2RuCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   119.56
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2RuCl
_chemical_formula_sum   'Ag2 Ru1 Cl1'
_cell_volume   69.71
_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
  Ag  Ag0  1  0.41  0.34  0.3  1.0
  Ag  Ag1  1  0.41  0.34  0.7  1.0
  Ru  Ru2  1  0.0  0.68  0.0  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ag Ag Ru Cl
Ag Ag Ru Cl 0 1 o o o 0 2 o + o 0 2 o + + 1 3 o o o 1 3 o o + 2 3 + o o 