data_[Tb12Pr12Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.2540]
_cell_length_b [11.9313]
_cell_length_c [16.1109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tb3Pr3Hg2]
_chemical_formula_sum '[Tb12 Pr12 Hg8]'
_cell_volume [1009.9431]
_cell_formula_units_Z [4]
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  0.3591  0.5333  1.0
  Tb  Tb1  4  0.0000  0.4285  0.2500  1.0
  Pr  Pr2  8  0.0000  0.0395  0.6088  1.0
  Pr  Pr3  4  0.0000  0.2868  0.7500  1.0
  Hg  Hg4  8  0.0000  0.2314  0.1253  1.0
]