data_[Pr10Sc8Hg8]
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 [I4/m]
_cell_length_a [12.2017]
_cell_length_b [12.2017]
_cell_length_c [4.9598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Pr5(ScHg)4]
_chemical_formula_sum '[Pr10 Sc8 Hg8]'
_cell_volume [738.4214]
_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  8  0.1244  0.8081  0.5000  1
  Pr  Pr1  2  0.0000  0.0000  0.0000  1
  Sc  Sc2  8  0.0858  0.4047  0.5000  1
  Hg  Hg3  8  0.0759  0.2540  0.0000  1
]