data_[La8Be8O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Be  1.5700  1.0500  0.5900
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.5928]
_cell_length_b [7.3770]
_cell_length_c [7.4569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0459]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La2Be2O5]
_chemical_formula_sum '[La8 Be8 O20]'
_cell_volume [417.6104]
_cell_formula_units_Z [4]
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
[
  La  La0  8  0.2356  0.0360  0.1931  1.0
  Be  Be1  8  0.0302  0.2823  0.4699  1.0
  O  O2  8  0.0998  0.1568  0.9160  1.0
  O  O3  4  0.0000  0.2473  0.2500  1.0
  O  O4  4  0.0000  0.5000  0.0000  1.0
  O  O5  4  0.2500  0.2500  0.5000  1.0
]