data_[Pr4Ag4Hg16]
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
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.0604]
_cell_length_b [16.0893]
_cell_length_c [7.3311]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [PrAgHg4]
_chemical_formula_sum '[Pr4 Ag4 Hg16]'
_cell_volume [596.8889]
_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  0.0000  0.1729  0.4383  1.0
  Ag  Ag1  4  0.0000  0.3486  0.2320  1.0
  Hg  Hg2  4  0.0000  0.0163  0.7389  1.0
  Hg  Hg3  4  0.0000  0.1971  0.9261  1.0
  Hg  Hg4  4  0.0000  0.3521  0.6412  1.0
  Hg  Hg5  4  0.0000  0.4744  0.9568  1.0
]