data_[Pr8H4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.0469]
_cell_length_b [4.4661]
_cell_length_c [6.6501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3689]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr2HC2]
_chemical_formula_sum '[Pr8 H4 C8]'
_cell_volume [367.7527]
_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  8  0.1361  0.3132  0.6059  1.0
  H  H1  4  0.0000  0.4336  0.2500  1.0
  C  C2  8  0.2218  0.1291  0.0129  1.0
]