data_[Pr8Al8Hg4]
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 [C2/m]
_cell_length_a [11.2500]
_cell_length_b [4.7079]
_cell_length_c [11.1021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6279]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Al2Hg]
_chemical_formula_sum '[Pr8 Al8 Hg4]'
_cell_volume [520.9665]
_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  4  0.0123  0.0000  0.3272  1.0
  Pr  Pr1  4  0.1815  0.0000  0.0927  1.0
  Al  Al2  4  0.0150  0.5000  0.8849  1.0
  Al  Al3  4  0.1355  0.5000  0.5603  1.0
  Hg  Hg4  4  0.2278  0.5000  0.3461  1.0
]