data_[Ba4Si4O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.8639]
_cell_length_b [7.1124]
_cell_length_c [8.1008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2870]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaSiO4]
_chemical_formula_sum '[Ba4 Si4 O16]'
_cell_volume [452.7289]
_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  0.3367  0.7500  1
  Si  Si1  4  0.0000  0.1632  0.2500  1
  O  O2  8  0.0108  0.2934  0.0847  1
  O  O3  8  0.1710  0.0336  0.2351  1
]