data_[Pr12Hg2Ge4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Hg  2.0000  1.5000  1.2450
  Ge  2.0100  1.2500  0.7700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7090]
_cell_length_b [13.3556]
_cell_length_c [7.9887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6774]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6HgGe2I3]
_chemical_formula_sum '[Pr12 Hg2 Ge4 I6]'
_cell_volume [779.1893]
_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  0.2414  0.1721  0.2104  1.0
  Pr  Pr1  4  0.2260  0.5000  0.2098  1.0
  Hg  Hg2  2  0.0000  0.0000  0.0000  1.0
  Ge  Ge3  4  0.0000  0.3337  0.0000  1.0
  I  I4  4  0.0000  0.1654  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]