data_[Pr12Hg4Ir2]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.2066]
_cell_length_b [7.6301]
_cell_length_c [12.7321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.7570]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr6Hg2Ir]
_chemical_formula_sum '[Pr12 Hg4 Ir2]'
_cell_volume [595.2814]
_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  0.1338  0.1991  0.4475  1.0
  Pr  Pr1  4  0.2570  0.6853  0.4449  1.0
  Pr  Pr2  4  0.3694  0.0135  0.2466  1.0
  Hg  Hg3  4  0.1919  0.0931  0.7383  1.0
  Ir  Ir4  2  0.5000  0.0000  0.5000  1.0
]