data_[Cs1Pr1Hg2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pr  1.1300  1.8500  1.0600
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7735]
_cell_length_b [7.1929]
_cell_length_c [9.6874]
_cell_angle_alpha [110.5916]
_cell_angle_beta [96.2379]
_cell_angle_gamma [98.8983]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsPr(HgCl4)2]
_chemical_formula_sum '[Cs1 Pr1 Hg2 Cl8]'
_cell_volume [429.6727]
_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  0.5000  0.5000  1.0
  Pr  Pr1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.4684  0.8063  0.2781  1.0
  Cl  Cl3  2  0.1308  0.0325  0.7467  1.0
  Cl  Cl4  2  0.2202  0.3745  0.1796  1.0
  Cl  Cl5  2  0.3267  0.8001  0.0376  1.0
  Cl  Cl6  2  0.4380  0.2299  0.4900  1.0
]