data_[Pr16Cd2Hg4]
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 [18.2904]
_cell_length_b [5.2240]
_cell_length_c [8.0693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4479]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8CdHg2]
_chemical_formula_sum '[Pr16 Cd2 Hg4]'
_cell_volume [717.6172]
_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
[
  Pr  Pr0  4  0.0351  0.0000  0.7589  1.0
  Pr  Pr1  4  0.0883  0.5000  0.4558  1.0
  Pr  Pr2  4  0.1733  0.5000  0.9593  1.0
  Pr  Pr3  4  0.1859  0.0000  0.2804  1.0
  Cd  Cd4  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg5  4  0.1905  0.0000  0.6697  1.0
]