data_[Pr6Cd48Hg3]
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 [R3m]
_cell_length_a [10.1353]
_cell_length_b [10.1353]
_cell_length_c [14.9720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Pr2Cd16Hg]
_chemical_formula_sum '[Pr6 Cd48 Hg3]'
_cell_volume [1331.9397]
_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  0.3296  1
  Pr  Pr1  3  0.0000  0.0000  0.6694  1
  Cd  Cd2  18  0.0005  0.3003  0.9994  1
  Cd  Cd3  9  0.0039  0.5020  0.4989  1
  Cd  Cd4  9  0.0129  0.5065  0.1472  1
  Cd  Cd5  9  0.1754  0.3509  0.1849  1
  Cd  Cd6  3  0.0000  0.0000  0.9036  1
  Hg  Hg7  3  0.0000  0.0000  0.1081  1
]