data_[Pr4Al8Hg4]
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 [Amm2]
_cell_length_a [4.6522]
_cell_length_b [6.6505]
_cell_length_c [11.8394]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [PrAl2Hg]
_chemical_formula_sum '[Pr4 Al8 Hg4]'
_cell_volume [366.3068]
_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  2  0.0000  0.0000  0.6709  1
  Pr  Pr1  2  0.5000  0.0000  0.3235  1
  Al  Al2  4  0.5000  0.2092  0.0719  1
  Al  Al3  2  0.0000  0.0000  0.1437  1
  Al  Al4  2  0.5000  0.0000  0.8649  1
  Hg  Hg5  4  0.0000  0.2392  0.9267  1
]