data_[Tb12Nd2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7089]
_cell_length_b [3.7455]
_cell_length_c [11.9731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6042]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6NdHg2]
_chemical_formula_sum '[Tb12 Nd2 Hg4]'
_cell_volume [540.1443]
_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  0.0158  0.0000  0.3396  1.0
  Tb  Tb1  4  0.1874  0.5000  0.5838  1.0
  Tb  Tb2  4  0.1881  0.5000  0.8754  1.0
  Nd  Nd3  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg4  4  0.1482  0.5000  0.2143  1.0
]