data_[Y4Hg4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.8497]
_cell_length_b [11.0250]
_cell_length_c [8.1571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3782]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [YHgCl5]
_chemical_formula_sum '[Y4 Hg4 Cl20]'
_cell_volume [789.2777]
_cell_formula_units_Z [4]
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
[
  Y  Y0  4  0.0000  0.4348  0.7500  1.0
  Hg  Hg1  4  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  8  0.0841  0.3772  0.4491  1.0
  Cl  Cl3  8  0.1853  0.1118  0.1846  1.0
  Cl  Cl4  4  0.0000  0.1865  0.7500  1.0
]