data_YRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   150.77
_cell_angle_beta   150.77
_cell_angle_gamma   41.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YRu2
_chemical_formula_sum   'Y1 Ru2'
_cell_volume   55.25
_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  Y2  1  0.0  0.0  0.0  1.0
  Ru  Ru0  1  0.0  0.0  0.54  1.0
  Ru  Ru1  1  0.0  0.0  0.95  1.0

data_YRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   110.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YRu2
_chemical_formula_sum   'Y2 Ru4'
_cell_volume   110.49
_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  0.05  1.0
  Ru  Ru2  2  0.0  0.0  0.46  1.0

Y Ru Ru
Y Ru Ru 0 2 o o - 0 1 o o o 0 1 o o - 1 1 + o + 1 1 o + + 1 2 o o o 