data_[Er4Hg4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  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 [8.7887]
_cell_length_b [10.9963]
_cell_length_c [8.0733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.9096]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [ErHgCl5]
_chemical_formula_sum '[Er4 Hg4 Cl20]'
_cell_volume [774.5669]
_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
[
  Er  Er0  4  0.0000  0.4354  0.7500  1.0
  Hg  Hg1  4  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  8  0.0824  0.3774  0.4482  1.0
  Cl  Cl3  8  0.1877  0.1112  0.1862  1.0
  Cl  Cl4  4  0.0000  0.1879  0.7500  1.0
]