data_RbScBP2HO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   8.33
_cell_length_c   8.35
_cell_angle_alpha   87.99
_cell_angle_beta   80.09
_cell_angle_gamma   86.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbScBP2HO9
_chemical_formula_sum   'Rb2 Sc2 B2 P4 H2 O18'
_cell_volume   361.74
_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  Rb26  1  0.15  0.72  0.99  1.0
  Rb  Rb27  1  0.02  0.82  0.24  1.0
  Sc  Sc28  1  0.46  0.74  0.64  1.0
  Sc  Sc29  1  0.71  0.8  0.58  1.0
  B  B0  1  0.33  0.34  0.61  1.0
  B  B1  1  0.84  0.2  0.61  1.0
  P  P22  1  0.44  0.52  0.6  1.0
  P  P23  1  0.71  0.87  0.48  1.0
  P  P24  1  0.46  0.67  0.74  1.0
  P  P25  1  0.73  0.01  0.63  1.0
  H  H2  1  0.95  0.17  0.92  1.0
  H  H3  1  0.22  0.37  0.3  1.0
  O  O4  1  0.6  0.47  0.39  1.0
  O  O5  1  0.98  0.67  0.27  1.0
  O  O6  1  0.91  0.36  0.67  1.0
  O  O7  1  0.68  0.01  0.72  1.0
  O  O8  1  0.84  0.1  0.11  1.0
  O  O9  1  0.72  0.33  0.74  1.0
  O  O10  1  0.01  0.37  0.78  1.0
  O  O11  1  0.81  0.8  0.76  1.0
  O  O12  1  0.65  0.64  0.84  1.0
  O  O13  1  0.52  0.9  0.39  1.0
  O  O14  1  0.37  0.74  0.47  1.0
  O  O15  1  0.16  0.17  0.44  1.0
  O  O16  1  0.45  0.21  0.48  1.0
  O  O17  1  0.33  0.44  0.12  1.0
  O  O18  1  0.49  0.53  0.51  1.0
  O  O19  1  0.27  0.18  0.55  1.0
  O  O20  1  0.19  0.86  0.96  1.0
  O  O21  1  0.57  0.07  0.83  1.0

data_RbScBP2HO9
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.29
_cell_length_b   8.33
_cell_length_c   8.35
_cell_angle_alpha   87.99
_cell_angle_beta   80.09
_cell_angle_gamma   86.92
_symmetry_Int_Tables_number   2
_chemical_formula_structural   RbScBP2HO9
_chemical_formula_sum   'Rb2 Sc2 B2 P4 H2 O18'
_cell_volume   361.74
_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  0.45  0.88  1.0
  Sc  Sc1  2  0.37  0.47  0.53  1.0
  B  B2  2  0.25  0.07  0.5  1.0
  P  P3  2  0.36  0.25  0.49  1.0
  P  P4  2  0.37  0.4  0.63  1.0
  H  H5  2  0.14  0.1  0.19  1.0
  O  O6  2  0.08  0.9  0.33  1.0
  O  O7  2  0.1  0.6  0.84  1.0
  O  O8  2  0.18  0.91  0.44  1.0
  O  O9  2  0.25  0.17  0.01  1.0
  O  O10  2  0.28  0.47  0.36  1.0
  O  O11  2  0.37  0.94  0.37  1.0
  O  O12  2  0.41  0.26  0.39  1.0
  O  O13  2  0.43  0.63  0.27  1.0
  O  O14  2  0.48  0.8  0.72  1.0

Rb Rb Sc Sc B B P P P P H H O O O O O O O O O O O O O O O O O O