data_[Er6Ag8Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.3476]
_cell_length_b [4.8648]
_cell_length_c [30.2572]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Er3(AgHg)4]
_chemical_formula_sum '[Er6 Ag8 Hg8]'
_cell_volume [492.7486]
_cell_formula_units_Z [2]
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  0.0000  0.3607  1.0
  Er  Er1  2  0.0000  0.5000  0.5000  1.0
  Ag  Ag2  4  0.0000  0.0000  0.0921  1.0
  Ag  Ag3  4  0.0000  0.5000  0.2341  1.0
  Hg  Hg4  4  0.0000  0.0000  0.1844  1.0
  Hg  Hg5  4  0.0000  0.5000  0.0475  1.0
]