data_[Pr4Hg4Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1643]
_cell_length_b [4.3489]
_cell_length_c [6.5735]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2203]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Hg2Pd3]
_chemical_formula_sum '[Pr4 Hg4 Pd6]'
_cell_volume [328.3665]
_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  0.1193  0.5000  0.8096  1
  Hg  Hg1  4  0.1078  0.0000  0.1897  1
  Pd  Pd2  4  0.2442  0.0000  0.6512  1
  Pd  Pd3  2  0.0000  0.0000  0.5000  1
]