data_[Sr6Hg3Au48]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [9.8114]
_cell_length_b [9.8114]
_cell_length_c [14.2374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sr2HgAu16]
_chemical_formula_sum '[Sr6 Hg3 Au48]'
_cell_volume [1186.9208]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3451  1
  Sr  Sr1  3  0.0000  0.0000  0.6619  1
  Hg  Hg2  3  0.0000  0.0000  0.0970  1
  Au  Au3  18  0.0218  0.3551  0.6665  1
  Au  Au4  9  0.0020  0.5010  0.5004  1
  Au  Au5  9  0.0033  0.5016  0.1560  1
  Au  Au6  9  0.1709  0.3418  0.1772  1
  Au  Au7  3  0.0000  0.0000  0.8963  1
]