data_[Pr4Hg12Pd8]
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 [16.5401]
_cell_length_b [4.5947]
_cell_length_c [7.6967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0841]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrHg3Pd2]
_chemical_formula_sum '[Pr4 Hg12 Pd8]'
_cell_volume [542.0067]
_cell_formula_units_Z [4]
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  0.1172  0.0000  0.1973  1.0
  Hg  Hg1  4  0.0721  0.0000  0.7081  1.0
  Hg  Hg2  4  0.1260  0.5000  0.5272  1.0
  Hg  Hg3  4  0.1945  0.5000  0.9848  1.0
  Pd  Pd4  4  0.0113  0.5000  0.8359  1.0
  Pd  Pd5  4  0.2373  0.0000  0.6103  1.0
]