data_[Tb4Mg2Hg12]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.5039]
_cell_length_b [8.6327]
_cell_length_c [5.9492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1645]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2MgHg6]
_chemical_formula_sum '[Tb4 Mg2 Hg12]'
_cell_volume [436.6473]
_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  4  0.1718  0.5000  0.6729  1.0
  Mg  Mg1  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  8  0.1675  0.3338  0.1673  1.0
  Hg  Hg3  4  0.0000  0.1653  0.5000  1.0
]