data_[Cs1Ho1Hg2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [6.6675]
_cell_length_b [7.1169]
_cell_length_c [9.4555]
_cell_angle_alpha [110.2065]
_cell_angle_beta [96.0867]
_cell_angle_gamma [99.0832]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsHo(HgCl4)2]
_chemical_formula_sum '[Cs1 Ho1 Hg2 Cl8]'
_cell_volume [409.4922]
_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
  Ho  Ho1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.4615  0.8068  0.2704  1.0
  Cl  Cl3  2  0.1270  0.0357  0.7534  1.0
  Cl  Cl4  2  0.2275  0.3521  0.1732  1.0
  Cl  Cl5  2  0.3089  0.7949  0.0249  1.0
  Cl  Cl6  2  0.4428  0.2339  0.4935  1.0
]