data_[Pr13Hg2]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7128]
_cell_length_b [8.7783]
_cell_length_c [9.7302]
_cell_angle_alpha [68.8938]
_cell_angle_beta [78.3224]
_cell_angle_gamma [82.0714]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pr13Hg2]
_chemical_formula_sum '[Pr13 Hg2]'
_cell_volume [522.5056]
_cell_formula_units_Z [1]
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  2  0.0567  0.4187  0.7042  1.0
  Pr  Pr1  2  0.2093  0.1783  0.2360  1.0
  Pr  Pr2  2  0.2487  0.5943  0.9502  1.0
  Pr  Pr3  2  0.2847  0.9864  0.6494  1.0
  Pr  Pr4  2  0.4645  0.3719  0.4116  1.0
  Pr  Pr5  2  0.4718  0.7981  0.1523  1.0
  Pr  Pr6  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg7  2  0.1259  0.7905  0.4508  1.0
]