data_Ba(C2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.52
_cell_length_b   8.52
_cell_length_c   13.4
_cell_angle_alpha   120.28
_cell_angle_beta   120.28
_cell_angle_gamma   47.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(C2O5)2
_chemical_formula_sum   'Ba2 C8 O20'
_cell_volume   600.39
_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
  Ba  Ba0  1  0.25  0.76  0.38  1.0
  Ba  Ba1  1  0.95  0.24  0.79  1.0
  C  C2  1  0.39  0.71  0.91  1.0
  C  C3  1  0.82  0.29  0.27  1.0
  C  C4  1  0.12  0.71  0.85  1.0
  C  C5  1  0.08  0.29  0.32  1.0
  C  C6  1  0.01  0.33  0.49  1.0
  C  C7  1  0.19  0.67  0.68  1.0
  C  C8  1  0.89  0.33  0.1  1.0
  C  C9  1  0.32  0.67  0.08  1.0
  O  O10  1  0.9  0.82  0.86  1.0
  O  O11  1  0.3  0.18  0.32  1.0
  O  O12  1  0.61  0.82  0.9  1.0
  O  O13  1  0.59  0.18  0.27  1.0
  O  O14  1  0.94  0.41  0.39  1.0
  O  O15  1  0.26  0.59  0.78  1.0
  O  O16  1  0.56  0.41  0.37  1.0
  O  O17  1  0.64  0.59  0.8  1.0
  O  O18  1  0.65  0.21  0.82  1.0
  O  O19  1  0.56  0.79  0.35  1.0
  O  O20  1  0.86  0.21  0.94  1.0
  O  O21  1  0.34  0.79  0.23  1.0
  O  O22  1  0.83  0.11  0.31  1.0
  O  O23  1  0.37  0.89  0.87  1.0
  O  O24  1  0.07  0.11  0.28  1.0
  O  O25  1  0.13  0.89  0.9  1.0
  O  O26  1  0.04  0.44  0.46  1.0
  O  O27  1  0.16  0.56  0.72  1.0
  O  O28  1  0.47  0.44  0.31  1.0
  O  O29  1  0.74  0.56  0.87  1.0

data_Ba(C2O5)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.89
_cell_length_b   8.52
_cell_length_c   11.7
_cell_angle_alpha   81.31
_cell_angle_beta   72.87
_cell_angle_gamma   66.14
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ba(C2O5)2
_chemical_formula_sum   'Ba2 C8 O20'
_cell_volume   600.39
_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
  Ba  Ba0  2  0.24  0.62  0.29  1.0
  C  C1  2  0.29  0.17  0.82  1.0
  C  C2  2  0.29  0.96  0.77  1.0
  C  C3  2  0.33  0.17  0.6  1.0
  C  C4  2  0.33  0.89  0.99  1.0
  O  O5  2  0.11  0.12  0.81  1.0
  O  O6  2  0.11  0.39  0.78  1.0
  O  O7  2  0.18  0.51  0.82  1.0
  O  O8  2  0.18  0.85  0.77  1.0
  O  O9  2  0.21  0.88  0.15  1.0
  O  O10  2  0.21  0.98  0.27  1.0
  O  O11  2  0.41  0.05  0.7  1.0
  O  O12  2  0.41  0.41  0.72  1.0
  O  O13  2  0.44  0.41  0.78  1.0
  O  O14  2  0.44  0.98  0.63  1.0

Ba Ba C C C C C C C C O O O O O O O O O O O O O O O O O O O O
Ba Ba C C C C C C C C O O O O O O O O O O O O O O O O O O O O 0 28 o o o 0 16 o o o 1 17 o o o 1 29 o o o 2 15 o o o 2 25 o o o 2 4 o o o 2 23 o o o 3 22 o o o 3 24 + o o 3 5 + o o 3 14 o o o 4 27 o o o 4 10 - o o 4 15 o o o 4 25 o o o 5 24 o o o 5 14 - o o 5 11 o o o 5 26 o o o 6 14 - o o 6 26 o o o 7 27 o o o 7 15 o o o 8 20 o o - 9 21 o o o 12 17 o o o 12 29 o o o 12 23 o o o 13 22 o o o 13 28 o o o 13 16 o o o 14 26 + o o 15 27 o o o 16 28 o o o 17 29 o o o 18 20 o o o 19 21 o o o 