data_[Er4Ag2Hg12]
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 [C2/m]
_cell_length_a [8.1995]
_cell_length_b [8.5480]
_cell_length_c [6.0905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5599]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er2AgHg6]
_chemical_formula_sum '[Er4 Ag2 Hg12]'
_cell_volume [426.4559]
_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  0.1775  0.5000  0.6760  1.0
  Ag  Ag1  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  8  0.1647  0.3329  0.1634  1.0
  Hg  Hg3  4  0.0000  0.1682  0.5000  1.0
]