data_[K1Nd1Hg2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Nd  1.1400  1.8500  1.2765
  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 [6.6819]
_cell_length_b [6.9052]
_cell_length_c [9.0000]
_cell_angle_alpha [81.8430]
_cell_angle_beta [76.1991]
_cell_angle_gamma [87.9097]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KNd(HgCl4)2]
_chemical_formula_sum '[K1 Nd1 Hg2 Cl8]'
_cell_volume [399.1865]
_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
[
  K  K0  1  0.0000  0.0000  0.5000  1.0
  Nd  Nd1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.4731  0.4806  0.7318  1.0
  Cl  Cl3  2  0.2154  0.8249  0.2021  1.0
  Cl  Cl4  2  0.2462  0.3428  0.9701  1.0
  Cl  Cl5  2  0.2521  0.8559  0.7546  1.0
  Cl  Cl6  2  0.2703  0.3843  0.4875  1.0
]