data_[Pr12Ag6Hg3Pd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3475]
_cell_length_b [5.3475]
_cell_length_c [25.9105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr4Ag2HgPd]
_chemical_formula_sum '[Pr12 Ag6 Hg3 Pd3]'
_cell_volume [641.6688]
_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  6  0.0000  0.0000  0.1296  1.0
  Pr  Pr1  6  0.0000  0.0000  0.3807  1.0
  Ag  Ag2  6  0.0000  0.0000  0.2556  1.0
  Hg  Hg3  3  0.0000  0.0000  0.0000  1.0
  Pd  Pd4  3  -0.0000  -0.0000  0.5000  1.0
]