data_AgRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   3.92
_cell_length_c   8.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgRu2
_chemical_formula_sum   'Ag4 Ru8'
_cell_volume   182.59
_cell_formula_units_Z   4
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  0.63  0.98  0.68  1.0
  Ag  Ag1  1  0.15  0.94  0.49  1.0
  Ag  Ag2  1  0.4  0.98  0.89  1.0
  Ag  Ag3  1  0.93  0.94  0.7  1.0
  Ru  Ru4  1  0.67  0.98  0.28  1.0
  Ru  Ru5  1  0.58  0.98  0.9  1.0
  Ru  Ru6  1  0.2  0.94  0.71  1.0
  Ru  Ru7  1  0.11  0.94  0.47  1.0
  Ru  Ru8  1  0.44  0.98  0.91  1.0
  Ru  Ru9  1  0.35  0.98  0.67  1.0
  Ru  Ru10  1  0.98  0.94  0.48  1.0
  Ru  Ru11  1  0.89  0.94  0.1  1.0

data_AgRu2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.92
_cell_length_b   5.55
_cell_length_c   8.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AgRu2
_chemical_formula_sum   'Ag4 Ru8'
_cell_volume   182.59
_cell_formula_units_Z   4
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
  Ag  Ag0  2  0.02  0.63  0.2  1.0
  Ag  Ag1  2  0.02  0.85  0.99  1.0
  Ru  Ru2  2  0.02  0.58  0.98  1.0
  Ru  Ru3  2  0.02  0.67  0.22  1.0
  Ru  Ru4  2  0.02  0.8  0.21  1.0
  Ru  Ru5  2  0.02  0.89  0.59  1.0

Ag Ag Ag Ag Ru Ru Ru Ru Ru Ru Ru Ru
Ag Ag Ag Ag Ru Ru Ru Ru Ru Ru Ru Ru 0 9 o o o 0 3 o o o 1 7 o o o 2 8 o o o 3 6 + o o 4 11 o o o 5 8 o o o 6 9 o o o 7 10 - o o 