data_[Ba4B4O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.2831]
_cell_length_b [6.6913]
_cell_length_c [10.8743]
_cell_angle_alpha [105.2806]
_cell_angle_beta [90.1104]
_cell_angle_gamma [90.8307]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba2B2O5]
_chemical_formula_sum '[Ba4 B4 O10]'
_cell_volume [300.5969]
_cell_formula_units_Z [2]
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  2  0.2189  0.3212  0.0804  1.0
  Ba  Ba1  2  0.2491  0.7764  0.6005  1.0
  B  B2  2  0.3271  0.8684  0.2008  1.0
  B  B3  2  0.3356  0.3564  0.6770  1.0
  O  O4  2  0.2257  0.0689  0.2314  1.0
  O  O5  2  0.2457  0.3369  0.5530  1.0
  O  O6  2  0.2837  0.5312  0.7729  1.0
  O  O7  2  0.2893  0.7297  0.0842  1.0
  O  O8  2  0.4937  0.8166  0.3038  1.0
]