data_[Tb12Hg4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Hg  2.0000  1.5000  1.2450
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9021]
_cell_length_b [6.8937]
_cell_length_c [6.9184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3652]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6Hg2N]
_chemical_formula_sum '[Tb12 Hg4 N2]'
_cell_volume [462.9059]
_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  0.0407  0.2551  0.7844  1.0
  Tb  Tb1  4  0.2424  0.5000  0.6639  1.0
  Hg  Hg2  4  0.2492  0.0000  0.7568  1.0
  N  N3  2  0.0000  0.5000  0.5000  1.0
]