data_[Pr3Tm3Cd6Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tm  1.2500  1.7500  1.0950
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1694]
_cell_length_b [5.1694]
_cell_length_c [25.2926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [PrTm(CdHg2)2]
_chemical_formula_sum '[Pr3 Tm3 Cd6 Hg12]'
_cell_volume [585.3260]
_cell_formula_units_Z [3]
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
[
  Pr  Pr0  3  0.0000  0.0000  0.0000  1.0
  Tm  Tm1  3  -0.0000  -0.0000  0.5000  1.0
  Cd  Cd2  6  0.0000  0.0000  0.2502  1.0
  Hg  Hg3  6  0.0000  0.0000  0.1284  1.0
  Hg  Hg4  6  0.0000  0.0000  0.3799  1.0
]