data_[Ba3Na6Sr3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.4011]
_cell_length_b [7.4011]
_cell_length_c [19.6408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [BaNa2SrCl6]
_chemical_formula_sum '[Ba3 Na6 Sr3 Cl18]'
_cell_volume [931.7129]
_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  0.8077  1.0
  Na  Na1  3  0.0000  0.0000  0.0139  1.0
  Na  Na2  3  0.0000  0.0000  0.5186  1.0
  Sr  Sr3  3  0.0000  0.0000  0.3146  1.0
  Cl  Cl4  9  0.0344  0.3532  0.5856  1.0
  Cl  Cl5  9  0.0627  0.7057  0.0833  1.0
]