data_[Er4Ag4Hg12]
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 [13.7883]
_cell_length_b [5.3171]
_cell_length_c [6.4337]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5485]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErAgHg3]
_chemical_formula_sum '[Er4 Ag4 Hg12]'
_cell_volume [471.5019]
_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  0.1118  0.5000  0.2197  1.0
  Ag  Ag1  4  0.1952  0.0000  0.4946  1.0
  Hg  Hg2  4  0.0023  0.0000  0.7404  1.0
  Hg  Hg3  4  0.1137  0.5000  0.7074  1.0
  Hg  Hg4  4  0.1908  0.0000  0.0073  1.0
]