data_[Ba4Zn4O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [6.4592]
_cell_length_b [7.4933]
_cell_length_c [5.9397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [BaZnO2]
_chemical_formula_sum '[Ba4 Zn4 O8]'
_cell_volume [287.4838]
_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  0.1393  0.1115  0.9981  1.0
  Zn  Zn1  4  0.0739  0.6324  0.0046  1.0
  O  O2  4  0.0005  0.4141  0.8278  1.0
  O  O3  4  0.1170  0.1579  0.4426  1.0
]