data_YRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   5.52
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YRu3
_chemical_formula_sum   'Y2 Ru6'
_cell_volume   141.96
_cell_formula_units_Z   2
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  Y6  1  0.0  0.0  0.35  1.0
  Y  Y7  1  0.17  0.76  0.58  1.0
  Ru  Ru0  1  0.17  0.0  0.44  1.0
  Ru  Ru1  1  0.0  0.4  0.23  1.0
  Ru  Ru2  1  0.17  0.36  0.69  1.0
  Ru  Ru3  1  0.0  0.76  0.49  1.0
  Ru  Ru4  1  0.0  0.12  0.23  1.0
  Ru  Ru5  1  0.17  0.16  0.69  1.0

data_YRu3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.34
_cell_length_b   5.52
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YRu3
_chemical_formula_sum   'Y2 Ru6'
_cell_volume   141.96
_cell_formula_units_Z   2
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  Y0  1  0.0  0.0  0.35  1.0
  Y  Y1  1  0.17  0.76  0.58  1.0
  Ru  Ru2  1  0.0  0.12  0.23  1.0
  Ru  Ru3  1  0.0  0.4  0.23  1.0
  Ru  Ru4  1  0.0  0.76  0.49  1.0
  Ru  Ru5  1  0.17  0.0  0.44  1.0
  Ru  Ru6  1  0.17  0.16  0.69  1.0
  Ru  Ru7  1  0.17  0.36  0.69  1.0

Y Y Ru Ru Ru Ru Ru Ru