data_YbB2Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   2.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbB2Ru3
_chemical_formula_sum   'Yb1 B2 Ru3'
_cell_volume   79.15
_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
  Yb  Yb5  1  0.0  0.0  0.0  1.0
  B  B0  1  0.78  0.61  0.0  1.0
  B  B1  1  0.0  0.21  0.0  1.0
  Ru  Ru2  1  0.78  0.0  0.47  1.0
  Ru  Ru3  1  0.61  0.41  0.47  1.0
  Ru  Ru4  1  0.39  0.41  0.47  1.0

data_YbB2Ru3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_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   YbB2Ru3
_chemical_formula_sum   'Yb1 B2 Ru3'
_cell_volume   79.15
_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
  Yb  Yb0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.0  0.0  0.21  1.0
  B  B2  1  0.0  0.78  0.61  1.0
  Ru  Ru3  1  0.47  0.39  0.41  1.0
  Ru  Ru4  1  0.47  0.61  0.41  1.0
  Ru  Ru5  1  0.47  0.78  0.0  1.0

Yb B B Ru Ru Ru
Yb B B Ru Ru Ru 0 2 o o o 0 1 - - o 0 3 - o o 0 3 - o - 1 4 o o - 1 4 o o o 2 3 - o o 2 3 - o - 4 5 o o o 