data_[Pr12Hg6H2]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6577]
_cell_length_b [8.4505]
_cell_length_c [11.9493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.4954]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr6Hg3H]
_chemical_formula_sum '[Pr12 Hg6 H2]'
_cell_volume [585.1417]
_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  4  0.0686  0.0589  0.2315  1
  Pr  Pr1  4  0.1741  0.7154  0.0631  1
  Pr  Pr2  4  0.3996  0.1468  0.0492  1
  Hg  Hg3  4  0.3263  0.1147  0.7320  1
  Hg  Hg4  2  0.5000  0.0000  0.5000  1
  H  H5  2  0.0000  0.0000  0.0000  1
]