data_[Ba3Sr6I3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.2028]
_cell_length_b [6.2028]
_cell_length_c [15.8477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [BaSr2IO6]
_chemical_formula_sum '[Ba3 Sr6 I3 O18]'
_cell_volume [528.0497]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.1953  1
  Sr  Sr1  3  0.0000  0.0000  0.4617  1
  Sr  Sr2  3  0.0000  0.0000  0.9725  1
  I  I3  3  0.0000  0.0000  0.6779  1
  O  O4  9  0.0247  0.3984  0.4113  1
  O  O5  9  0.0875  0.6770  0.2657  1
]