data_[Tb4Er2Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.2565]
_cell_length_b [5.2565]
_cell_length_c [12.9358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Tb2ErHg3]
_chemical_formula_sum '[Tb4 Er2 Hg6]'
_cell_volume [309.5405]
_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
[
  Tb  Tb0  2  0.3333  0.6667  0.1682  1
  Tb  Tb1  1  0.0000  0.0000  0.0000  1
  Tb  Tb2  1  0.0000  0.0000  0.5000  1
  Er  Er3  2  0.3333  0.6667  0.6671  1
  Hg  Hg4  2  0.0000  0.0000  0.2515  1
  Hg  Hg5  2  0.3333  0.6667  0.4175  1
  Hg  Hg6  2  0.3333  0.6667  0.9159  1
]