data_[Pr12Hg6C2]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7348]
_cell_length_b [8.5124]
_cell_length_c [11.9030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6542]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr6Hg3C]
_chemical_formula_sum '[Pr12 Hg6 C2]'
_cell_volume [598.8171]
_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  0.0775  0.5541  0.7253  1.0
  Pr  Pr1  4  0.1819  0.2212  0.5651  1.0
  Pr  Pr2  4  0.3796  0.6472  0.5544  1.0
  Hg  Hg3  4  0.3169  0.6116  0.2385  1.0
  Hg  Hg4  2  0.5000  0.0000  0.5000  1.0
  C  C5  2  0.0000  0.0000  0.0000  1.0
]