data_[Tb4Mg2Hg16]
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 [17.2663]
_cell_length_b [4.7790]
_cell_length_c [7.0495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3531]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2MgHg8]
_chemical_formula_sum '[Tb4 Mg2 Hg16]'
_cell_volume [541.7603]
_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  0.2127  0.0000  0.6806  1.0
  Mg  Mg1  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg2  4  0.0189  0.0000  0.7280  1.0
  Hg  Hg3  4  0.1067  0.5000  0.4176  1.0
  Hg  Hg4  4  0.1470  0.5000  0.8750  1.0
  Hg  Hg5  4  0.1593  0.0000  0.1858  1.0
]