data_[Cs1Al1Hg2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Al  1.6100  1.2500  0.6750
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0334]
_cell_length_b [5.0997]
_cell_length_c [8.4998]
_cell_angle_alpha [84.3431]
_cell_angle_beta [88.8172]
_cell_angle_gamma [88.6216]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsAlHg2F8]
_chemical_formula_sum '[Cs1 Al1 Hg2 F8]'
_cell_volume [217.0170]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Al  Al1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.4550  0.5256  0.2056  1.0
  F  F3  2  0.1328  0.1882  0.1479  1.0
  F  F4  2  0.1503  0.2116  0.8384  1.0
  F  F5  2  0.3097  0.7715  0.0064  1.0
  F  F6  2  0.4885  0.7181  0.5912  1.0
]