data_[Pr6Ag18Hg4]
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 [Immm]
_cell_length_a [4.7319]
_cell_length_b [9.7914]
_cell_length_c [13.9145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr3Ag9Hg2]
_chemical_formula_sum '[Pr6 Ag18 Hg4]'
_cell_volume [644.6925]
_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  0.0000  0.0000  0.2998  1.0
  Pr  Pr1  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  8  0.0000  0.2815  0.1326  1.0
  Ag  Ag3  8  0.0000  0.3613  0.3300  1.0
  Ag  Ag4  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg5  4  0.0000  0.1954  0.5000  1.0
]