data_YbRuO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   55.5
_cell_angle_beta   55.5
_cell_angle_gamma   55.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbRuO3
_chemical_formula_sum   'Yb2 Ru2 O6'
_cell_volume   124.95
_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
  Yb  Yb8  1  0.0  0.0  0.03  1.0
  Yb  Yb9  1  0.0  0.0  0.7  1.0
  Ru  Ru6  1  0.0  0.0  0.01  1.0
  Ru  Ru7  1  0.0  0.0  0.72  1.0
  O  O0  1  0.33  0.64  0.01  1.0
  O  O1  1  0.91  0.6  0.01  1.0
  O  O2  1  0.76  0.76  0.01  1.0
  O  O3  1  0.24  0.24  0.71  1.0
  O  O4  1  0.09  0.4  0.71  1.0
  O  O5  1  0.67  0.36  0.71  1.0

data_YbRuO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.82
_cell_angle_alpha   62.25
_cell_angle_beta   62.25
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   YbRuO3
_chemical_formula_sum   'Yb2 Ru2 O6'
_cell_volume   124.95
_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
  Yb  Yb0  2  0.0  0.16  0.34  1.0
  Ru  Ru1  2  0.0  0.14  0.36  1.0
  O  O2  2  0.24  0.85  0.17  1.0
  O  O3  2  0.36  0.85  0.62  1.0
  O  O4  2  0.4  0.85  0.16  1.0

Yb Yb Ru Ru O O O O O O