data_[Tb8Nd18Hg22]
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 [Cmmm]
_cell_length_a [15.8885]
_cell_length_b [23.4152]
_cell_length_c [3.6067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Tb4Nd9Hg11]
_chemical_formula_sum '[Tb8 Nd18 Hg22]'
_cell_volume [1341.7937]
_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  0.1518  0.4049  0.5000  1
  Nd  Nd1  8  0.1130  0.2567  0.5000  1
  Nd  Nd2  8  0.1243  0.0826  0.5000  1
  Nd  Nd3  2  0.0000  0.5000  0.5000  1
  Hg  Hg4  8  0.2378  0.1776  0.0000  1
  Hg  Hg5  4  0.0000  0.1661  0.0000  1
  Hg  Hg6  4  0.0000  0.3631  0.0000  1
  Hg  Hg7  4  0.2331  0.5000  0.0000  1
  Hg  Hg8  2  0.0000  0.0000  0.0000  1
]