data_[Pr4Ag12Hg8]
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 [15.3837]
_cell_length_b [4.3280]
_cell_length_c [9.5741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.9017]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrAg3Hg2]
_chemical_formula_sum '[Pr4 Ag12 Hg8]'
_cell_volume [541.1606]
_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  0.1145  0.0000  0.9754  1
  Ag  Ag1  4  0.0703  0.0000  0.4335  1
  Ag  Ag2  4  0.0795  0.5000  0.6740  1
  Ag  Ag3  4  0.2465  0.5000  0.5947  1
  Hg  Hg4  4  0.0747  0.5000  0.2221  1
  Hg  Hg5  4  0.2275  0.0000  0.7844  1
]