data_[Cs1Ac1Hg2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ac  1.1000  1.9500  1.2600
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [5.8340]
_cell_length_b [5.8340]
_cell_length_c [9.6472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [CsAcHg2F8]
_chemical_formula_sum '[Cs1 Ac1 Hg2 F8]'
_cell_volume [284.3557]
_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  0.0000  1
  Ac  Ac1  1  0.0000  0.0000  0.5000  1
  Hg  Hg2  2  0.3333  0.6667  0.7931  1
  F  F3  6  0.0351  0.3275  0.6647  1
  F  F4  2  0.3333  0.6667  0.0109  1
]