data_LaYbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   5.93
_cell_length_c   8.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaYbO3
_chemical_formula_sum   'La4 Yb4 O12'
_cell_volume   307.56
_cell_formula_units_Z   4
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
  La  La0  1  0.8  0.03  0.38  1.0
  La  La1  1  0.34  0.89  0.15  1.0
  La  La2  1  0.73  0.86  0.38  1.0
  La  La3  1  0.4  0.07  0.15  1.0
  Yb  Yb4  1  0.1  0.92  0.2  1.0
  Yb  Yb5  1  0.03  0.01  0.43  1.0
  Yb  Yb6  1  0.03  0.97  0.2  1.0
  Yb  Yb7  1  0.1  0.96  0.43  1.0
  O  O8  1  0.55  0.15  0.3  1.0
  O  O9  1  0.58  0.78  0.07  1.0
  O  O10  1  0.49  0.82  0.3  1.0
  O  O11  1  0.65  0.11  0.07  1.0
  O  O12  1  0.88  0.8  0.48  1.0
  O  O13  1  0.26  0.13  0.71  1.0
  O  O14  1  0.81  0.17  0.48  1.0
  O  O15  1  0.32  0.76  0.71  1.0
  O  O16  1  0.05  0.95  0.67  1.0
  O  O17  1  0.08  0.98  0.9  1.0
  O  O18  1  0.99  0.94  0.67  1.0
  O  O19  1  0.15  0.98  0.9  1.0

data_LaYbO3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.93
_cell_length_b   6.13
_cell_length_c   8.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaYbO3
_chemical_formula_sum   'La4 Yb4 O12'
_cell_volume   307.56
_cell_formula_units_Z   4
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  0.03  0.97  0.8  1.0
  Yb  Yb1  1  0.04  0.9  0.57  1.0
  Yb  Yb2  1  0.08  0.9  0.8  1.0
  La  La3  1  0.11  0.66  0.85  1.0
  La  La4  1  0.14  0.27  0.62  1.0
  La  La5  1  0.93  0.6  0.85  1.0
  La  La6  1  0.97  0.2  0.62  1.0
  Yb  Yb7  1  0.99  0.97  0.57  1.0
  O  O8  1  0.02  0.85  0.1  1.0
  O  O9  1  0.02  0.92  0.1  1.0
  O  O10  1  0.05  0.95  0.33  1.0
  O  O11  1  0.06  0.01  0.33  1.0
  O  O12  1  0.18  0.51  0.7  1.0
  O  O13  1  0.2  0.12  0.52  1.0
  O  O14  1  0.22  0.42  0.93  1.0
  O  O15  1  0.24  0.68  0.29  1.0
  O  O16  1  0.83  0.19  0.52  1.0
  O  O17  1  0.85  0.45  0.7  1.0
  O  O18  1  0.87  0.74  0.29  1.0
  O  O19  1  0.89  0.35  0.93  1.0

La La La La Yb Yb Yb Yb O O O O O O O O O O O O
La La La La Yb Yb Yb Yb O O O O O O O O O O O O 0 2 o - o 0 14 o o o 0 8 o o o 1 3 o + o 1 9 o o o 1 10 o o o 2 12 o o o 2 10 o o o 3 8 o o o 3 9 o - o 3 11 o o o 4 6 o o o 5 7 o - o 8 10 o - o 8 11 o o o 9 10 o o o 9 11 o + o 13 16 o - o 13 18 - - o 13 19 o - o 13 17 o - o 13 15 o - o 15 16 o o o 15 18 - o o 15 19 o o o 15 17 o o o 16 18 - o o 17 19 o o o 