data_[Pr4Hg12Au8]
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 [18.2088]
_cell_length_b [4.4425]
_cell_length_c [8.0027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1828]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrHg3Au2]
_chemical_formula_sum '[Pr4 Hg12 Au8]'
_cell_volume [585.8352]
_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  0.1169  0.0000  0.0426  1.0
  Hg  Hg1  4  0.0713  0.0000  0.4416  1.0
  Hg  Hg2  4  0.1242  0.5000  0.7274  1.0
  Hg  Hg3  4  0.1933  0.5000  0.4109  1.0
  Au  Au4  4  0.0153  0.5000  0.1850  1.0
  Au  Au5  4  0.2437  0.0000  0.8645  1.0
]