data_[Tb2Pm2Hg2]
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 [I4mm]
_cell_length_a [3.6861]
_cell_length_b [3.6861]
_cell_length_c [12.8600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [TbPmHg]
_chemical_formula_sum '[Tb2 Pm2 Hg2]'
_cell_volume [174.7371]
_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  2  0.0000  0.0000  0.3178  1
  Pm  Pm1  2  0.0000  0.0000  0.0101  1
  Hg  Hg2  2  0.0000  0.0000  0.6721  1
]