data_YRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   4.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YRu3
_chemical_formula_sum   'Y2 Ru6'
_cell_volume   131.63
_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  0.35  0.13  1.0
  Y  Y7  1  0.9  0.67  0.39  1.0
  Ru  Ru0  1  0.0  0.56  0.39  1.0
  Ru  Ru1  1  0.55  0.24  0.39  1.0
  Ru  Ru2  1  0.45  0.24  0.39  1.0
  Ru  Ru3  1  0.9  0.46  0.13  1.0
  Ru  Ru4  1  0.35  0.78  0.13  1.0
  Ru  Ru5  1  0.44  0.78  0.13  1.0

data_YRu3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.52
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   YRu3
_chemical_formula_sum   'Y2 Ru6'
_cell_volume   131.63
_cell_formula_units_Z   2
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
  Y  Y0  2  0.13  0.45  0.66  1.0
  Ru  Ru1  2  0.13  0.01  0.23  1.0
  Ru  Ru2  2  0.13  0.1  0.23  1.0
  Ru  Ru3  2  0.13  0.55  0.55  1.0

Y Y Ru Ru Ru Ru Ru Ru