data_[Sr9Hg3Au24]
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 [5.8629]
_cell_length_b [5.8629]
_cell_length_c [27.9746]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sr3HgAu8]
_chemical_formula_sum '[Sr9 Hg3 Au24]'
_cell_volume [832.7627]
_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  0.0098  1.0
  Sr  Sr1  3  0.0000  0.0000  0.4915  1.0
  Sr  Sr2  3  0.0000  0.0000  0.6226  1.0
  Hg  Hg3  3  0.0000  0.0000  0.1321  1.0
  Au  Au4  9  0.0036  0.5018  0.5630  1.0
  Au  Au5  9  0.1691  0.3381  0.3938  1.0
  Au  Au6  3  0.0000  0.0000  0.3118  1.0
  Au  Au7  3  0.0000  0.0000  0.8115  1.0
]