data_[Na6Sr3Hg3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.1207]
_cell_length_b [7.1207]
_cell_length_c [19.0939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Na2SrHgCl6]
_chemical_formula_sum '[Na6 Sr3 Hg3 Cl18]'
_cell_volume [838.4305]
_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
[
  Na  Na0  3  0.0000  0.0000  0.4819  1.0
  Na  Na1  3  0.0000  0.0000  0.9829  1.0
  Sr  Sr2  3  0.0000  0.0000  0.1854  1.0
  Hg  Hg3  3  0.0000  0.0000  0.6829  1.0
  Cl  Cl4  9  0.0073  0.7090  0.5861  1.0
  Cl  Cl5  9  0.0295  0.3464  0.7491  1.0
]