data_[K1Ho1Hg2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ho  1.2300  1.7500  1.0410
  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 [6.6745]
_cell_length_b [6.7737]
_cell_length_c [8.8976]
_cell_angle_alpha [82.2022]
_cell_angle_beta [75.2073]
_cell_angle_gamma [87.8270]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KHo(HgCl4)2]
_chemical_formula_sum '[K1 Ho1 Hg2 Cl8]'
_cell_volume [385.3397]
_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
  Ho  Ho1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.4675  0.4763  0.7368  1.0
  Cl  Cl3  2  0.2014  0.8200  0.1932  1.0
  Cl  Cl4  2  0.2387  0.3319  0.9785  1.0
  Cl  Cl5  2  0.2518  0.8626  0.7590  1.0
  Cl  Cl6  2  0.2684  0.3902  0.4859  1.0
]