data_[Pr4Si2Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Si  1.9000  1.1000  0.5400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.2316]
_cell_length_b [4.2936]
_cell_length_c [8.8014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7859]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr2SiHg]
_chemical_formula_sum '[Pr4 Si2 Hg2]'
_cell_volume [222.9431]
_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  0.2228  0.2500  0.4347  1.0
  Pr  Pr1  2  0.2990  0.7500  0.0772  1.0
  Si  Si2  2  0.3768  0.7500  0.7107  1.0
  Hg  Hg3  2  0.1345  0.2500  0.7880  1.0
]