data_[Er4Ag16Hg2]
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 [13.7082]
_cell_length_b [5.0257]
_cell_length_c [7.7103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.4405]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er2Ag8Hg]
_chemical_formula_sum '[Er4 Ag16 Hg2]'
_cell_volume [448.3033]
_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  0.2245  0.0000  0.8003  1.0
  Ag  Ag1  4  0.0456  0.0000  0.3566  1.0
  Ag  Ag2  4  0.0796  0.5000  0.7258  1.0
  Ag  Ag3  4  0.1308  0.0000  0.0805  1.0
  Ag  Ag4  4  0.1886  0.5000  0.4927  1.0
  Hg  Hg5  2  0.0000  0.5000  0.0000  1.0
]