data_[Li8Be8O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [4.9367]
_cell_length_b [9.9259]
_cell_length_c [4.6810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8691]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [LiBeO]
_chemical_formula_sum '[Li8 Be8 O8]'
_cell_volume [209.7563]
_cell_formula_units_Z [8]
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  4  0.1640  0.3076  0.5048  1
  Li  Li1  4  0.4861  0.0657  0.4825  1
  Be  Be2  4  0.0601  0.0674  0.5920  1
  Be  Be3  4  0.1570  0.1789  0.0023  1
  O  O4  4  0.0335  0.0869  0.2308  1
  O  O5  4  0.3427  0.3133  0.1697  1
]