data_Rb4H6C2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.42
_cell_length_b   9.42
_cell_length_c   7.59
_cell_angle_alpha   109.68
_cell_angle_beta   109.68
_cell_angle_gamma   95.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb4H6C2O9
_chemical_formula_sum   'Rb8 H12 C4 O18'
_cell_volume   580.1
_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
  Rb  Rb0  1  0.15  0.94  0.29  1.0
  Rb  Rb1  1  0.76  0.94  0.55  1.0
  Rb  Rb2  1  0.67  0.06  0.27  1.0
  Rb  Rb3  1  0.06  0.06  0.01  1.0
  Rb  Rb4  1  0.46  0.36  0.92  1.0
  Rb  Rb5  1  0.36  0.64  0.64  1.0
  Rb  Rb6  1  0.46  0.66  0.92  1.0
  Rb  Rb7  1  0.36  0.34  0.64  1.0
  H  H8  1  0.91  0.06  0.05  1.0
  H  H9  1  0.81  0.06  0.24  1.0
  H  H10  1  0.91  0.94  0.52  1.0
  H  H11  1  0.01  0.94  0.33  1.0
  H  H12  1  0.66  0.39  0.48  1.0
  H  H13  1  0.06  0.39  0.8  1.0
  H  H14  1  0.16  0.61  0.08  1.0
  H  H15  1  0.76  0.61  0.77  1.0
  H  H16  1  0.53  0.18  0.26  1.0
  H  H17  1  0.2  0.18  0.02  1.0
  H  H18  1  0.29  0.82  0.3  1.0
  H  H19  1  0.62  0.82  0.55  1.0
  C  C20  1  0.97  0.69  0.31  1.0
  C  C21  1  0.95  0.69  0.54  1.0
  C  C22  1  0.85  0.31  0.26  1.0
  C  C23  1  0.87  0.31  0.02  1.0
  O  O24  1  0.21  0.96  0.26  1.0
  O  O25  1  0.7  0.96  0.58  1.0
  O  O26  1  0.61  0.04  0.3  1.0
  O  O27  1  0.12  0.04  0.98  1.0
  O  O28  1  0.56  0.93  0.45  1.0
  O  O29  1  0.36  0.93  0.39  1.0
  O  O30  1  0.26  0.07  0.11  1.0
  O  O31  1  0.46  0.07  0.17  1.0
  O  O32  1  0.48  0.18  0.2  1.0
  O  O33  1  0.25  0.18  0.08  1.0
  O  O34  1  0.34  0.82  0.36  1.0
  O  O35  1  0.57  0.82  0.49  1.0
  O  O36  1  0.81  0.45  0.82  1.0
  O  O37  1  0.91  0.45  0.47  1.0
  O  O38  1  0.01  0.55  0.75  1.0
  O  O39  1  0.91  0.55  0.1  1.0
  O  O40  1  0.36  0.79  0.64  1.0
  O  O41  1  0.46  0.21  0.92  1.0

data_Rb4H6C2O9
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.59
_cell_length_b   9.42
_cell_length_c   9.42
_cell_angle_alpha   95.82
_cell_angle_beta   109.68
_cell_angle_gamma   109.68
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Rb4H6C2O9
_chemical_formula_sum   'Rb8 H12 C4 O18'
_cell_volume   580.1
_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
  Rb  Rb0  2  0.01  0.74  0.94  1.0
  Rb  Rb1  2  0.27  0.35  0.94  1.0
  Rb  Rb2  2  0.36  0.95  0.34  1.0
  Rb  Rb3  2  0.36  0.95  0.64  1.0
  H  H4  2  0.02  0.88  0.82  1.0
  H  H5  2  0.05  0.6  0.94  1.0
  H  H6  2  0.2  0.25  0.39  1.0
  H  H7  2  0.24  0.5  0.94  1.0
  H  H8  2  0.26  0.21  0.82  1.0
  H  H9  2  0.48  0.35  0.61  1.0
  C  C10  2  0.02  0.56  0.69  1.0
  C  C11  2  0.26  0.54  0.69  1.0
  O  O12  2  0.02  0.2  0.04  1.0
  O  O13  2  0.08  0.93  0.82  1.0
  O  O14  2  0.11  0.95  0.93  1.0
  O  O15  2  0.17  0.15  0.93  1.0
  O  O16  2  0.18  0.5  0.45  1.0
  O  O17  2  0.2  0.16  0.82  1.0
  O  O18  2  0.3  0.29  0.96  1.0
  O  O19  2  0.36  0.95  0.79  1.0
  O  O20  2  0.47  0.6  0.55  1.0

Rb Rb Rb Rb Rb Rb Rb Rb H H H H H H H H H H H H C C C C O O O O O O O O O O O O O O O O O O