data_[Na1Tb4Hg5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tb  1.1000  1.7500  0.9815
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7224]
_cell_length_b [3.7224]
_cell_length_c [18.8190]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [NaTb4Hg5]
_chemical_formula_sum '[Na1 Tb4 Hg5]'
_cell_volume [260.7667]
_cell_formula_units_Z [1]
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
[
  Na  Na0  1  0.0000  0.0000  0.0000  1.0
  Tb  Tb1  2  0.0000  0.0000  0.2006  1.0
  Tb  Tb2  2  0.0000  0.0000  0.4000  1.0
  Hg  Hg3  2  0.5000  0.5000  0.1074  1.0
  Hg  Hg4  2  0.5000  0.5000  0.3020  1.0
  Hg  Hg5  1  0.5000  0.5000  0.5000  1.0
]