data_[Tb12Mg3Ag3Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Mg  1.3100  1.5000  0.8600
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2719]
_cell_length_b [5.2719]
_cell_length_c [25.9187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb4MgAgHg2]
_chemical_formula_sum '[Tb12 Mg3 Ag3 Hg6]'
_cell_volume [623.8388]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1284  1.0
  Tb  Tb1  6  0.0000  0.0000  0.3805  1.0
  Mg  Mg2  3  0.0000  0.0000  0.0000  1.0
  Ag  Ag3  3  -0.0000  -0.0000  0.5000  1.0
  Hg  Hg4  6  0.0000  0.0000  0.2587  1.0
]