data_[Pr6Hg8Au8]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0815]
_cell_length_b [8.0581]
_cell_length_c [16.7276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr3(HgAu)4]
_chemical_formula_sum '[Pr6 Hg8 Au8]'
_cell_volume [550.1568]
_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  0.0000  0.0000  0.1190  1
  Pr  Pr1  2  0.0000  0.5000  0.0000  1
  Hg  Hg2  8  0.0000  0.1892  0.3388  1
  Au  Au3  4  0.0000  0.3143  0.5000  1
  Au  Au4  4  0.0000  0.5000  0.2422  1
]