data_[Li2Be2B2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Be  1.5700  1.0500  0.5900
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.6326]
_cell_length_b [4.7032]
_cell_length_c [5.9788]
_cell_angle_alpha [68.2834]
_cell_angle_beta [72.5780]
_cell_angle_gamma [61.1836]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiBeBO3]
_chemical_formula_sum '[Li2 Be2 B2 O6]'
_cell_volume [104.8548]
_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
[
  Li  Li0  2  0.2566  0.8678  0.3388  1.0
  Be  Be1  2  0.3567  0.7264  0.8447  1.0
  B  B2  2  0.0703  0.4019  0.7707  1.0
  O  O3  2  0.1267  0.6881  0.7068  1.0
  O  O4  2  0.2574  0.5769  0.1562  1.0
  O  O5  2  0.3286  0.0978  0.7611  1.0
]