data_YRu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   2.82
_cell_length_c   11.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YRu5
_chemical_formula_sum   'Y1 Ru5'
_cell_volume   94.22
_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
  Y  Y5  1  0.0  0.0  0.0  1.0
  Ru  Ru0  1  0.41  0.41  0.5  1.0
  Ru  Ru1  1  0.41  0.41  0.34  1.0
  Ru  Ru2  1  0.0  0.0  0.8  1.0
  Ru  Ru3  1  0.0  0.0  0.03  1.0
  Ru  Ru4  1  0.41  0.41  0.92  1.0

data_YRu5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.99
_cell_length_b   3.99
_cell_length_c   11.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YRu5
_chemical_formula_sum   'Y2 Ru10'
_cell_volume   188.44
_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
  Y  Y0  2  0.0  0.0  0.0  1.0
  Ru  Ru1  2  0.0  0.0  0.03  1.0
  Ru  Ru2  2  0.0  0.0  0.8  1.0
  Ru  Ru3  2  0.41  0.0  0.34  1.0
  Ru  Ru4  2  0.41  0.0  0.5  1.0
  Ru  Ru5  2  0.41  0.0  0.92  1.0

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