data_[Cs1Hg2Pd1F8]
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 [5.0891]
_cell_length_b [5.5036]
_cell_length_c [8.4639]
_cell_angle_alpha [82.9600]
_cell_angle_beta [89.6488]
_cell_angle_gamma [89.2004]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsHg2PdF8]
_chemical_formula_sum '[Cs1 Hg2 Pd1 F8]'
_cell_volume [235.2444]
_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  2  0.4612  0.5150  0.2122  1.0
  Pd  Pd2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.1199  0.2363  0.8151  1.0
  F  F4  2  0.1210  0.2069  0.1601  1.0
  F  F5  2  0.3635  0.7551  0.0089  1.0
  F  F6  2  0.4825  0.7142  0.5815  1.0
]