data_Be2BH3O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   10.84
_cell_length_c   4.46
_cell_angle_alpha   90.0
_cell_angle_beta   119.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2BH3O5
_chemical_formula_sum   'Be4 B2 H6 O10'
_cell_volume   185.94
_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
  Be  Be0  1  0.04  0.67  0.03  1.0
  Be  Be1  1  0.18  0.25  0.83  1.0
  Be  Be2  1  0.04  0.56  0.65  1.0
  Be  Be3  1  0.18  0.14  0.22  1.0
  B  B4  1  0.25  0.14  0.33  1.0
  B  B5  1  0.97  0.72  0.53  1.0
  H  H6  1  0.68  0.79  0.35  1.0
  H  H7  1  0.93  0.79  0.42  1.0
  H  H8  1  0.54  0.37  0.52  1.0
  H  H9  1  0.29  0.37  0.45  1.0
  H  H10  1  0.97  0.53  0.93  1.0
  H  H11  1  0.25  0.11  0.94  1.0
  O  O12  1  0.93  0.13  0.52  1.0
  O  O13  1  0.93  0.19  0.13  1.0
  O  O14  1  0.87  0.1  0.33  1.0
  O  O15  1  0.29  0.71  0.35  1.0
  O  O16  1  0.29  0.77  0.73  1.0
  O  O17  1  0.35  0.68  0.54  1.0
  O  O18  1  0.03  0.94  0.82  1.0
  O  O19  1  0.19  0.52  0.05  1.0
  O  O20  1  0.87  0.35  0.84  1.0
  O  O21  1  0.35  0.93  0.02  1.0

data_Be2BH3O5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.43
_cell_length_b   4.46
_cell_length_c   10.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2BH3O5
_chemical_formula_sum   'Be4 B2 H6 O10'
_cell_volume   185.94
_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
  Be  Be0  1  0.82  0.78  0.86  1.0
  Be  Be1  1  0.82  0.17  0.75  1.0
  Be  Be2  1  0.96  0.97  0.33  1.0
  Be  Be3  1  0.96  0.35  0.44  1.0
  B  B4  1  0.03  0.47  0.28  1.0
  B  B5  1  0.75  0.67  0.86  1.0
  H  H6  1  0.03  0.07  0.47  1.0
  H  H7  1  0.07  0.58  0.21  1.0
  H  H8  1  0.32  0.65  0.21  1.0
  H  H9  1  0.46  0.48  0.63  1.0
  H  H10  1  0.71  0.55  0.63  1.0
  H  H11  1  0.75  0.06  0.89  1.0
  O  O12  1  0.07  0.48  0.87  1.0
  O  O13  1  0.07  0.87  0.81  1.0
  O  O14  1  0.13  0.67  0.9  1.0
  O  O15  1  0.13  0.16  0.65  1.0
  O  O16  1  0.65  0.98  0.07  1.0
  O  O17  1  0.65  0.46  0.32  1.0
  O  O18  1  0.71  0.27  0.23  1.0
  O  O19  1  0.71  0.65  0.29  1.0
  O  O20  1  0.81  0.95  0.48  1.0
  O  O21  1  0.97  0.18  0.06  1.0

Be Be Be Be B B H H H H H H O O O O O O O O O O