data_[Pr2Hg12Au2]
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 [Amm2]
_cell_length_a [4.5775]
_cell_length_b [8.5289]
_cell_length_c [10.6956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [PrHg6Au]
_chemical_formula_sum '[Pr2 Hg12 Au2]'
_cell_volume [417.5667]
_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  2  0.0000  0.0000  0.8885  1.0
  Hg  Hg1  4  0.0000  0.1995  0.6017  1.0
  Hg  Hg2  4  0.5000  0.2178  0.3919  1.0
  Hg  Hg3  2  0.0000  0.0000  0.3130  1.0
  Hg  Hg4  2  0.5000  0.0000  0.1145  1.0
  Au  Au5  2  0.5000  0.0000  0.6972  1.0
]