data_[Pr12Zn4Hg4]
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 [C2/m]
_cell_length_a [7.0131]
_cell_length_b [9.5646]
_cell_length_c [9.2911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0376]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3ZnHg]
_chemical_formula_sum '[Pr12 Zn4 Hg4]'
_cell_volume [585.4971]
_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  8  0.1168  0.3181  0.6848  1.0
  Pr  Pr1  4  0.1866  0.0000  0.8642  1.0
  Zn  Zn2  4  0.1872  0.0000  0.5128  1.0
  Hg  Hg3  4  0.0000  0.2507  0.0000  1.0
]