data_[Tb12Mg10Hg2]
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 [Cmmm]
_cell_length_a [5.3585]
_cell_length_b [16.0987]
_cell_length_c [7.5349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Tb6Mg5Hg]
_chemical_formula_sum '[Tb12 Mg10 Hg2]'
_cell_volume [649.9958]
_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  8  0.0000  0.1650  0.2506  1
  Tb  Tb1  4  0.0000  0.5000  0.2472  1
  Mg  Mg2  4  0.0000  0.3280  0.0000  1
  Mg  Mg3  4  0.0000  0.3322  0.5000  1
  Mg  Mg4  2  0.0000  0.0000  0.5000  1
  Hg  Hg5  2  0.0000  0.0000  0.0000  1
]