data_[Pr16Ag2Hg4]
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 [C2/m]
_cell_length_a [18.5037]
_cell_length_b [5.5345]
_cell_length_c [6.8579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1568]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8AgHg2]
_chemical_formula_sum '[Pr16 Ag2 Hg4]'
_cell_volume [701.8056]
_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  0.0318  0.0000  0.7609  1
  Pr  Pr1  4  0.0922  0.5000  0.4108  1
  Pr  Pr2  4  0.1735  0.5000  0.9092  1
  Pr  Pr3  4  0.2100  0.0000  0.5849  1
  Ag  Ag4  2  0.0000  0.5000  0.0000  1
  Hg  Hg5  4  0.1507  0.0000  0.1416  1
]