data_[Tb4Pm16Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pm  1.1300  1.8500  1.1100
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9406]
_cell_length_b [14.1387]
_cell_length_c [6.4842]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1334]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TbPm4Hg]
_chemical_formula_sum '[Tb4 Pm16 Hg4]'
_cell_volume [774.3781]
_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  4  0.0000  0.4081  0.7500  1
  Pm  Pm1  8  0.0993  0.1887  0.0479  1
  Pm  Pm2  8  0.2168  0.3841  0.3755  1
  Hg  Hg3  4  0.0000  0.0014  0.7500  1
]