data_[Cs1Hg1Pd2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.7767]
_cell_length_b [5.1962]
_cell_length_c [9.3306]
_cell_angle_alpha [85.0977]
_cell_angle_beta [89.9014]
_cell_angle_gamma [83.6270]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsHgPd2F8]
_chemical_formula_sum '[Cs1 Hg1 Pd2 F8]'
_cell_volume [229.3100]
_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
  Hg  Hg1  1  0.0000  0.0000  0.0000  1.0
  Pd  Pd2  2  0.4778  0.4996  0.8022  1.0
  F  F3  2  0.1333  0.7520  0.8122  1.0
  F  F4  2  0.1809  0.7550  0.2110  1.0
  F  F5  2  0.3765  0.2922  0.9813  1.0
  F  F6  2  0.4373  0.3184  0.3805  1.0
]