data_[Pr14Hg6]
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
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [10.6753]
_cell_length_b [10.6753]
_cell_length_c [6.6612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Pr7Hg3]
_chemical_formula_sum '[Pr14 Hg6]'
_cell_volume [657.4220]
_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  6  0.0650  0.5325  0.6605  1.0
  Pr  Pr1  6  0.1255  0.2510  0.9209  1.0
  Pr  Pr2  2  0.3333  0.6667  0.0713  1.0
  Hg  Hg3  6  0.1970  0.3941  0.3642  1.0
]