data_[Pr16Hg6Bi4]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9833]
_cell_length_b [8.5375]
_cell_length_c [6.5624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6271]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8Hg3Bi2]
_chemical_formula_sum '[Pr16 Hg6 Bi4]'
_cell_volume [893.6966]
_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  8  0.1142  0.2908  0.3748  1
  Pr  Pr1  4  0.0853  0.5000  0.8711  1
  Pr  Pr2  4  0.1727  0.0000  0.8537  1
  Hg  Hg3  4  0.0000  0.1700  0.0000  1
  Hg  Hg4  2  0.0000  0.0000  0.5000  1
  Bi  Bi5  4  0.2430  0.0000  0.3549  1
]