data_[Pr8Hg8Au4]
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 [C2/m]
_cell_length_a [11.3010]
_cell_length_b [4.5955]
_cell_length_c [11.3987]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4806]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Hg2Au]
_chemical_formula_sum '[Pr8 Hg8 Au4]'
_cell_volume [546.9840]
_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  0.0242  0.0000  0.3422  1
  Pr  Pr1  4  0.1832  0.0000  0.1147  1
  Hg  Hg2  4  0.0429  0.5000  0.8885  1
  Hg  Hg3  4  0.1430  0.5000  0.5679  1
  Au  Au4  4  0.2128  0.5000  0.3175  1
]