data_[Pr12Ge4Au2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6586]
_cell_length_b [13.2810]
_cell_length_c [7.9681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8377]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Ge2AuI3]
_chemical_formula_sum '[Pr12 Ge4 Au2 I6]'
_cell_volume [767.0567]
_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  0.2370  0.1686  0.2071  1.0
  Pr  Pr1  4  0.2313  0.5000  0.2096  1.0
  Ge  Ge2  4  0.0000  0.3339  0.0000  1.0
  Au  Au3  2  0.0000  0.0000  0.0000  1.0
  I  I4  4  0.0000  0.1694  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]