data_[Pr20Co8Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Co  1.8800  1.3500  0.7683
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.9548]
_cell_length_b [7.9548]
_cell_length_c [13.7472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Pr5Co2Hg]
_chemical_formula_sum '[Pr20 Co8 Hg4]'
_cell_volume [869.9018]
_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  16  0.1623  0.3377  0.8687  1.0
  Pr  Pr1  4  0.0000  0.0000  0.0000  1.0
  Co  Co2  8  0.1295  0.3705  0.5000  1.0
  Hg  Hg3  4  0.0000  0.0000  0.2500  1.0
]