data_[Pr16Hg2Au4]
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 [19.0637]
_cell_length_b [5.2988]
_cell_length_c [7.2517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8641]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8HgAu2]
_chemical_formula_sum '[Pr16 Hg2 Au4]'
_cell_volume [697.2118]
_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  0.0240  0.0000  0.7696  1.0
  Pr  Pr1  4  0.0914  0.5000  0.4734  1.0
  Pr  Pr2  4  0.1724  0.5000  0.9928  1.0
  Pr  Pr3  4  0.1983  0.0000  0.3419  1.0
  Hg  Hg4  2  0.0000  0.5000  0.0000  1.0
  Au  Au5  4  0.1758  0.0000  0.7358  1.0
]