data_AsRu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   10.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsRu5
_chemical_formula_sum   'As1 Ru5'
_cell_volume   84.49
_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
  As  As0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.4  0.4  0.09  1.0
  Ru  Ru2  1  0.4  0.4  0.68  1.0
  Ru  Ru3  1  0.0  0.0  0.25  1.0
  Ru  Ru4  1  0.0  0.0  0.52  1.0
  Ru  Ru5  1  0.4  0.4  0.39  1.0

data_AsRu5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   10.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AsRu5
_chemical_formula_sum   'As2 Ru10'
_cell_volume   168.98
_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
  As  As0  2  0.0  0.0  0.0  1.0
  Ru  Ru1  2  0.0  0.0  0.25  1.0
  Ru  Ru2  2  0.0  0.0  0.52  1.0
  Ru  Ru3  2  0.4  0.0  0.09  1.0
  Ru  Ru4  2  0.4  0.0  0.39  1.0
  Ru  Ru5  2  0.4  0.0  0.68  1.0

As Ru Ru Ru Ru Ru
As Ru Ru Ru Ru Ru 0 1 - o o 0 1 o - o 0 1 o o o 0 3 o o o 1 3 o o o 1 3 + + o 1 3 + o o 1 3 o + o 2 4 o o o 2 4 o + o 2 4 + o o 2 4 + + o 2 2 + o o 2 2 o + o 3 5 - - o 3 5 - o o 3 5 o - o 3 5 o o o 3 3 + o o 3 3 o + o 3 4 o o o 4 5 - - o 4 5 - o o 4 5 o - o 4 5 o o o 4 4 + o o 4 4 o + o 5 5 + o o 5 5 o + o 