data_[Be5O5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.8745]
_cell_length_b [17.1872]
_cell_length_c [17.1872]
_cell_angle_alpha [120.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BeO]
_chemical_formula_sum '[Be5 O5]'
_cell_volume [1247.0261]
_cell_formula_units_Z [5]
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  0.0149  0.5910  0.5593  1
  Be  Be1  1  0.0188  0.3773  0.4124  1
  Be  Be2  1  0.0978  0.4808  0.5652  1
  Be  Be3  1  0.6044  0.5608  0.5552  1
  Be  Be4  1  0.8426  0.5031  0.4057  1
  O  O5  1  0.1078  0.3844  0.4948  1
  O  O6  1  0.3001  0.5561  0.5574  1
  O  O7  1  0.7933  0.5883  0.4900  1
  O  O8  1  0.8431  0.5478  0.6057  1
  O  O9  1  0.9139  0.4104  0.3543  1
]