data_[Sr12Ag6Hg36Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.1623]
_cell_length_b [7.1623]
_cell_length_c [37.6214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr2AgHg6Pd]
_chemical_formula_sum '[Sr12 Ag6 Hg36 Pd6]'
_cell_volume [1671.3763]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1190  1
  Sr  Sr1  6  0.0000  0.0000  0.2914  1
  Ag  Ag2  3  -0.0000  -0.0000  0.5000  1
  Ag  Ag3  3  0.0000  0.0000  0.0000  1
  Hg  Hg4  18  0.0250  0.5125  0.2909  1
  Hg  Hg5  18  0.0598  0.5299  0.8723  1
  Pd  Pd6  6  0.0000  0.0000  0.4270  1
]