data_[Be4Cd4O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Cd  1.6900  1.5500  1.0900
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [5.2958]
_cell_length_b [6.4819]
_cell_length_c [5.0741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [BeCdO2]
_chemical_formula_sum '[Be4 Cd4 O8]'
_cell_volume [174.1774]
_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
[
  Be  Be0  4  0.0624  0.8751  0.0069  1.0
  Cd  Cd1  4  0.0904  0.3776  1.0000  1.0
  O  O2  4  0.0278  0.9253  0.3271  1.0
  O  O3  4  0.1270  0.3278  0.4390  1.0
]