data_[Pr16Hg4Pd2]
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 [18.7433]
_cell_length_b [5.3055]
_cell_length_c [7.1141]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2432]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8Hg2Pd]
_chemical_formula_sum '[Pr16 Hg4 Pd2]'
_cell_volume [693.8661]
_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  0.0206  0.0000  0.7718  1
  Pr  Pr1  4  0.0896  0.5000  0.4513  1
  Pr  Pr2  4  0.1546  0.5000  0.9710  1
  Pr  Pr3  4  0.2024  0.0000  0.3168  1
  Hg  Hg4  4  0.1892  0.0000  0.7450  1
  Pd  Pd5  2  0.0000  0.5000  0.0000  1
]