data_Rb2H2C2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   10.81
_cell_angle_alpha   106.28
_cell_angle_beta   106.28
_cell_angle_gamma   67.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb2H2C2O5
_chemical_formula_sum   'Rb4 H4 C4 O10'
_cell_volume   301.83
_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  Rb18  1  0.66  1.0  0.42  1.0
  Rb  Rb19  1  0.34  1.0  0.85  1.0
  Rb  Rb20  1  0.48  0.0  0.33  1.0
  Rb  Rb21  1  0.16  0.0  0.76  1.0
  H  H4  1  0.61  0.29  0.1  1.0
  H  H5  1  0.4  0.29  0.16  1.0
  H  H6  1  0.42  0.71  0.01  1.0
  H  H7  1  0.21  0.71  0.07  1.0
  C  C0  1  0.96  0.89  0.64  1.0
  C  C1  1  0.05  0.89  0.63  1.0
  C  C2  1  0.77  0.11  0.55  1.0
  C  C3  1  0.86  0.11  0.54  1.0
  O  O8  1  0.8  0.57  0.05  1.0
  O  O9  1  0.64  0.87  0.06  1.0
  O  O10  1  0.0  0.87  0.63  1.0
  O  O11  1  0.36  0.87  0.21  1.0
  O  O12  1  0.21  0.57  0.21  1.0
  O  O13  1  0.61  0.43  0.96  1.0
  O  O14  1  0.46  0.13  0.97  1.0
  O  O15  1  0.82  0.13  0.54  1.0
  O  O16  1  0.18  0.13  0.12  1.0
  O  O17  1  0.02  0.43  0.13  1.0

data_Rb2H2C2O5
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   10.71
_cell_angle_alpha   94.41
_cell_angle_beta   104.3
_cell_angle_gamma   112.88
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Rb2H2C2O5
_chemical_formula_sum   'Rb4 H4 C4 O10'
_cell_volume   301.83
_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  0.07  1.0  0.83  1.0
  Rb  Rb1  2  0.17  0.0  0.74  1.0
  H  H2  2  0.09  0.29  0.57  1.0
  H  H3  2  0.18  0.71  0.49  1.0
  C  C4  2  0.01  0.89  0.05  1.0
  C  C5  2  0.1  0.11  0.96  1.0
  O  O6  2  0.05  0.13  0.96  1.0
  O  O7  2  0.16  0.87  0.62  1.0
  O  O8  2  0.26  0.13  0.53  1.0
  O  O9  2  0.33  0.57  0.63  1.0
  O  O10  2  0.42  0.43  0.54  1.0

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