data_[Pr12Sc4Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sc  1.3600  1.6000  0.8850
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.9362]
_cell_length_b [15.4296]
_cell_length_c [6.8148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pr3ScHg2]
_chemical_formula_sum '[Pr12 Sc4 Hg8]'
_cell_volume [729.3310]
_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  0.2384  0.1822  0.5000  1.0
  Pr  Pr1  4  0.0000  0.5000  0.2500  1.0
  Sc  Sc2  4  0.0000  0.0000  0.2500  1.0
  Hg  Hg3  8  0.2262  0.1221  0.0000  1.0
]