data_[Pr6Hg2C2Br2]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.0392]
_cell_length_b [3.8319]
_cell_length_c [10.4084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2249]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr3HgCBr]
_chemical_formula_sum '[Pr6 Hg2 C2 Br2]'
_cell_volume [360.4402]
_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  0.0766  0.2500  0.7846  1
  Pr  Pr1  2  0.1581  0.2500  0.4538  1
  Pr  Pr2  2  0.4042  0.7500  0.6636  1
  Hg  Hg3  2  0.2831  0.7500  0.2224  1
  C  C4  2  0.1266  0.7500  0.6318  1
  Br  Br5  2  0.3792  0.2500  0.8911  1
]