data_YSi2Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   3.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSi2Ru3
_chemical_formula_sum   'Y1 Si2 Ru3'
_cell_volume   97.82
_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  Y0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.79  0.61  0.0  1.0
  Si  Si2  1  0.0  0.22  0.0  1.0
  Ru  Ru3  1  0.39  0.41  0.82  1.0
  Ru  Ru4  1  0.79  0.0  0.82  1.0
  Ru  Ru5  1  0.61  0.41  0.82  1.0

data_YSi2Ru3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSi2Ru3
_chemical_formula_sum   'Y1 Si2 Ru3'
_cell_volume   97.82
_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  Y0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.0  0.0  0.22  1.0
  Si  Si2  1  0.0  0.79  0.61  1.0
  Ru  Ru3  1  0.82  0.39  0.41  1.0
  Ru  Ru4  1  0.82  0.61  0.41  1.0
  Ru  Ru5  1  0.82  0.79  0.0  1.0

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