data_[Pr8Hg4O2]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3041]
_cell_length_b [7.2622]
_cell_length_c [8.2763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0014]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr4Hg2O]
_chemical_formula_sum '[Pr8 Hg4 O2]'
_cell_volume [421.9993]
_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  0.4970  0.0066  0.2554  1.0
  Pr  Pr1  2  0.0845  0.2500  0.3822  1.0
  Pr  Pr2  2  0.1055  0.2500  0.9134  1.0
  Hg  Hg3  2  0.2494  0.7500  0.4287  1.0
  Hg  Hg4  2  0.2656  0.7500  0.9506  1.0
  O  O5  2  0.2716  0.2500  0.1950  1.0
]