data_[Ba4Si4H8O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Si  1.9000  1.1000  0.5400
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.2215]
_cell_length_b [7.6125]
_cell_length_c [7.6860]
_cell_angle_alpha [91.2220]
_cell_angle_beta [92.8208]
_cell_angle_gamma [102.2335]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaSi(HO2)2]
_chemical_formula_sum '[Ba4 Si4 H8 O16]'
_cell_volume [412.2129]
_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  2  0.0850  0.2109  0.1957  1
  Ba  Ba1  2  0.4098  0.2994  0.6958  1
  Si  Si2  2  0.1067  0.7459  0.2727  1
  Si  Si3  2  0.4170  0.7613  0.7820  1
  H  H4  2  0.0533  0.6083  0.5241  1
  H  H5  2  0.2360  0.5914  0.9904  1
  H  H6  2  0.2894  0.9110  0.5007  1
  H  H7  2  0.3906  0.0490  0.9914  1
  O  O8  2  0.0253  0.3339  0.5536  1
  O  O9  2  0.0276  0.1639  0.8535  1
  O  O10  2  0.2053  0.5919  0.1931  1
  O  O11  2  0.2629  0.5876  0.8607  1
  O  O12  2  0.2760  0.9102  0.3695  1
  O  O13  2  0.3041  0.9153  0.7253  1
  O  O14  2  0.4267  0.1714  0.0417  1
  O  O15  2  0.4661  0.3256  0.3575  1
]