data_[Pr2Hg2C2N4]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.4116]
_cell_length_b [3.9544]
_cell_length_c [8.4866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1042]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrHgCN2]
_chemical_formula_sum '[Pr2 Hg2 C2 N4]'
_cell_volume [181.6093]
_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  2  0.1187  0.7500  0.7026  1.0
  Hg  Hg1  2  0.2822  0.2500  0.0189  1.0
  C  C2  2  0.3796  0.7500  0.3638  1.0
  N  N3  2  0.1539  0.7500  0.3919  1.0
  N  N4  2  0.3963  0.2500  0.6574  1.0
]