data_[Cs2Hg2Pd2F12]
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 [C2]
_cell_length_a [6.2216]
_cell_length_b [10.0271]
_cell_length_c [6.2418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9032]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsHgPdF6]
_chemical_formula_sum '[Cs2 Hg2 Pd2 F12]'
_cell_volume [389.1771]
_cell_formula_units_Z [2]
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  2  0.0000  0.0041  0.0000  1.0
  Hg  Hg1  2  0.0000  0.6786  0.5000  1.0
  Pd  Pd2  2  0.0000  0.3339  0.5000  1.0
  F  F3  4  0.1343  0.4796  0.6726  1.0
  F  F4  4  0.1549  0.1943  0.6738  1.0
  F  F5  4  0.2130  0.8154  0.7025  1.0
]