data_[Er4Cd8Hg24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [4.9276]
_cell_length_b [13.0857]
_cell_length_c [13.5844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Er(CdHg3)2]
_chemical_formula_sum '[Er4 Cd8 Hg24]'
_cell_volume [875.9381]
_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  0.0000  0.0000  0.0000  1.0
  Cd  Cd1  8  0.0000  0.0000  0.3366  1.0
  Hg  Hg2  16  0.0000  0.1616  0.1688  1.0
  Hg  Hg3  8  0.0000  0.1669  0.5000  1.0
]