data_[Be2B1H3O5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  B  2.0400  0.8500  0.4100
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.4310]
_cell_length_b [4.4628]
_cell_length_c [5.4079]
_cell_angle_alpha [87.6028]
_cell_angle_beta [89.4727]
_cell_angle_gamma [60.2526]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Be2BH3O5]
_chemical_formula_sum '[Be2 B1 H3 O5]'
_cell_volume [92.7575]
_cell_formula_units_Z [1]
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  0.3314  0.3401  0.4006  1.0
  Be  Be1  1  0.6731  0.6576  0.6061  1.0
  B  B2  1  0.0002  0.9998  0.4982  1.0
  H  H3  1  0.0772  0.4669  0.0147  1.0
  H  H4  1  0.4595  0.4622  0.0140  1.0
  H  H5  1  0.5719  0.8598  0.9730  1.0
  O  O6  1  0.0006  0.3083  0.4967  1.0
  O  O7  1  0.3087  0.6913  0.4996  1.0
  O  O8  1  0.3238  0.3526  0.0926  1.0
  O  O9  1  0.6887  0.0013  0.4991  1.0
  O  O10  1  0.6934  0.6288  0.9062  1.0
]