data_[Pr24Ag4Hg10]
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 [13.0829]
_cell_length_b [10.7522]
_cell_length_c [8.4796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5426]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr12Ag2Hg5]
_chemical_formula_sum '[Pr24 Ag4 Hg10]'
_cell_volume [1164.3663]
_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  8  0.1073  0.2777  0.3940  1.0
  Pr  Pr1  8  0.1656  0.1709  0.8183  1.0
  Pr  Pr2  4  0.1000  0.0000  0.1578  1.0
  Pr  Pr3  4  0.1092  0.5000  0.7418  1.0
  Ag  Ag4  4  0.0000  0.2734  0.0000  1.0
  Hg  Hg5  4  0.1235  0.5000  0.1240  1.0
  Hg  Hg6  4  0.2313  0.0000  0.5139  1.0
  Hg  Hg7  2  0.0000  0.0000  0.5000  1.0
]