data_[Sr20Hg4Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.3383]
_cell_length_b [8.3383]
_cell_length_c [15.5611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Sr5HgPd2]
_chemical_formula_sum '[Sr20 Hg4 Pd8]'
_cell_volume [1081.9064]
_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
[
  Sr  Sr0  16  0.1676  0.3324  0.6353  1
  Sr  Sr1  4  0.0000  0.0000  0.0000  1
  Hg  Hg2  4  0.0000  0.0000  0.2500  1
  Pd  Pd3  8  0.1244  0.3756  0.0000  1
]