data_[Ba4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [5.2578]
_cell_length_b [8.5334]
_cell_length_c [6.8285]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9160]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaO4]
_chemical_formula_sum '[Ba4 O16]'
_cell_volume [306.2004]
_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
[
  Ba  Ba0  4  0.0000  0.3479  0.2500  1.0
  O  O1  8  0.0709  0.3330  0.6664  1.0
  O  O2  8  0.0959  0.0403  0.0373  1.0
]