data_[Pr6Zn45Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.2500]
_cell_length_b [9.2500]
_cell_length_c [13.4561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr2Zn15Hg2]
_chemical_formula_sum '[Pr6 Zn45 Hg6]'
_cell_volume [997.0823]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3402  1.0
  Zn  Zn1  18  0.0000  0.3007  0.0000  1.0
  Zn  Zn2  18  0.0142  0.5071  0.1540  1.0
  Zn  Zn3  9  0.0000  0.5000  0.5000  1.0
  Hg  Hg4  6  0.0000  0.0000  0.1074  1.0
]