data_[Ba6Si6O18]
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 [P6_3/mmc]
_cell_length_a [5.5179]
_cell_length_b [5.5179]
_cell_length_c [13.2776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [BaSiO3]
_chemical_formula_sum '[Ba6 Si6 O18]'
_cell_volume [350.1008]
_cell_formula_units_Z [6]
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  0.3333  0.6667  0.4048  1
  Ba  Ba1  2  0.0000  0.0000  0.2500  1
  Si  Si2  4  0.3333  0.6667  0.6562  1
  Si  Si3  2  0.0000  0.0000  0.0000  1
  O  O4  12  0.1666  0.8334  0.5801  1
  O  O5  6  0.0496  0.5248  0.7500  1
]