data_[Pr16Hg4Ru4]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0166]
_cell_length_b [13.9747]
_cell_length_c [6.3585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9047]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr4HgRu]
_chemical_formula_sum '[Pr16 Hg4 Ru4]'
_cell_volume [726.6953]
_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  8  0.1131  0.1785  0.5717  1.0
  Pr  Pr1  8  0.2231  0.4303  0.8421  1.0
  Hg  Hg2  4  0.0000  0.3769  0.2500  1.0
  Ru  Ru3  4  0.0000  0.0007  0.7500  1.0
]