data_[Cs3Li12Hg9F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [12.1194]
_cell_length_b [12.1194]
_cell_length_c [7.9315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [CsLi4Hg3F12]
_chemical_formula_sum '[Cs3 Li12 Hg9 F36]'
_cell_volume [1008.9005]
_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
[
  Cs  Cs0  3  0.0000  0.0000  0.0000  1
  Li  Li1  9  0.0000  0.4375  0.5000  1
  Li  Li2  3  0.0000  0.0000  0.5000  1
  Hg  Hg3  9  0.0000  0.5543  0.0000  1
  F  F4  18  0.0567  0.2449  0.1569  1
  F  F5  9  0.0000  0.5957  0.5000  1
  F  F6  9  0.0000  0.8509  0.5000  1
]