data_[Pr12Al8Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Al  1.6100  1.2500  0.6750
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6643]
_cell_length_b [11.5361]
_cell_length_c [15.5633]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr3Al2Hg3]
_chemical_formula_sum '[Pr12 Al8 Hg12]'
_cell_volume [837.4209]
_cell_formula_units_Z [4]
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  8  0.0000  0.0827  0.6079  1.0
  Pr  Pr1  4  0.0000  0.3700  0.7500  1.0
  Al  Al2  8  0.0000  0.2082  0.1026  1.0
  Hg  Hg3  8  0.0000  0.3760  0.5375  1.0
  Hg  Hg4  4  0.0000  0.3472  0.2500  1.0
]