data_[Sr3Hg9Au24]
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 [5.7476]
_cell_length_b [5.7476]
_cell_length_c [27.1277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [SrHg3Au8]
_chemical_formula_sum '[Sr3 Hg9 Au24]'
_cell_volume [776.0987]
_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  0.8752  1.0
  Hg  Hg1  3  0.0000  0.0000  0.0037  1.0
  Hg  Hg2  3  0.0000  0.0000  0.3744  1.0
  Hg  Hg3  3  0.0000  0.0000  0.4954  1.0
  Au  Au4  9  0.1667  0.3334  0.7703  1.0
  Au  Au5  9  0.1667  0.3334  0.2718  1.0
  Au  Au6  3  0.0000  0.0000  0.1874  1.0
  Au  Au7  3  0.0000  0.0000  0.6878  1.0
]