data_[Er2Cd4Hg6]
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 [P-3m1]
_cell_length_a [5.1059]
_cell_length_b [5.1059]
_cell_length_c [12.4451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [ErCd2Hg3]
_chemical_formula_sum '[Er2 Cd4 Hg6]'
_cell_volume [280.9752]
_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  2  0.3333  0.6667  0.6616  1
  Cd  Cd1  2  0.3333  0.6667  0.1680  1
  Cd  Cd2  1  0.0000  0.0000  0.0000  1
  Cd  Cd3  1  0.0000  0.0000  0.5000  1
  Hg  Hg4  2  0.0000  0.0000  0.2486  1
  Hg  Hg5  2  0.3333  0.6667  0.4142  1
  Hg  Hg6  2  0.3333  0.6667  0.9140  1
]