data_[Pr20Hg8H4C4]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9061]
_cell_length_b [18.2484]
_cell_length_c [13.5380]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr5Hg2HC]
_chemical_formula_sum '[Pr20 Hg8 H4 C4]'
_cell_volume [964.9944]
_cell_formula_units_Z [4]
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  0.0000  0.0509  0.0225  1
  Pr  Pr1  4  0.0000  0.3057  0.6478  1
  Pr  Pr2  4  0.0000  0.3067  0.3857  1
  Pr  Pr3  4  0.0000  0.3369  0.0157  1
  Pr  Pr4  4  0.0000  0.4990  0.2783  1
  Hg  Hg5  4  0.0000  0.1249  0.7013  1
  Hg  Hg6  4  0.0000  0.1285  0.3277  1
  H  H7  4  0.0000  0.4324  0.4271  1
  C  C8  4  0.0000  0.1952  0.0179  1
]