data_[Be10O10]
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 [Cmm2]
_cell_length_a [21.2001]
_cell_length_b [36.7197]
_cell_length_c [2.8391]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [BeO]
_chemical_formula_sum '[Be10 O10]'
_cell_volume [2210.1103]
_cell_formula_units_Z [10]
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  4  0.0000  0.3312  0.4392  1
  Be  Be1  4  0.2073  0.0000  0.4390  1
  Be  Be2  2  0.0000  0.5000  0.6967  1
  O  O3  4  0.0000  0.3311  0.9392  1
  O  O4  4  0.2081  0.0000  0.9392  1
  O  O5  2  0.0000  0.5000  0.1967  1
]