data_[Pr16Hg4Bi2]
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 [17.6529]
_cell_length_b [5.2179]
_cell_length_c [8.4973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9309]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8Hg2Bi]
_chemical_formula_sum '[Pr16 Hg4 Bi2]'
_cell_volume [709.7715]
_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  0.0482  0.0000  0.7411  1.0
  Pr  Pr1  4  0.0971  0.5000  0.4590  1.0
  Pr  Pr2  4  0.1591  0.0000  0.2305  1.0
  Pr  Pr3  4  0.1800  0.5000  0.9513  1.0
  Hg  Hg4  4  0.2086  0.0000  0.6477  1.0
  Bi  Bi5  2  0.0000  0.5000  0.0000  1.0
]