data_[Er4Ag8Hg12]
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 [21.3964]
_cell_length_b [3.7351]
_cell_length_c [6.9707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.3603]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErAg2Hg3]
_chemical_formula_sum '[Er4 Ag8 Hg12]'
_cell_volume [553.6504]
_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  0.0989  0.5000  0.0477  1.0
  Ag  Ag1  4  0.0068  0.0000  0.7995  1.0
  Ag  Ag2  4  0.1988  0.5000  0.4608  1.0
  Hg  Hg3  4  0.0660  0.5000  0.4673  1.0
  Hg  Hg4  4  0.1489  0.0000  0.7396  1.0
  Hg  Hg5  4  0.2183  0.0000  0.1543  1.0
]