data_[Pr4Cd12Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.4722]
_cell_length_b [4.7754]
_cell_length_c [7.7100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0406]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrCd3Hg2]
_chemical_formula_sum '[Pr4 Cd12 Hg8]'
_cell_volume [600.4069]
_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
[
  Pr  Pr0  4  0.1194  0.0000  0.1877  1.0
  Cd  Cd1  4  0.0720  0.0000  0.6884  1.0
  Cd  Cd2  4  0.1272  0.5000  0.5103  1.0
  Cd  Cd3  4  0.1972  0.5000  0.9299  1.0
  Hg  Hg4  4  0.0179  0.5000  0.8282  1.0
  Hg  Hg5  4  0.2400  0.0000  0.6594  1.0
]