data_[Si2Hg5Au5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.5514]
_cell_length_b [6.4310]
_cell_length_c [10.5088]
_cell_angle_alpha [98.9576]
_cell_angle_beta [90.7495]
_cell_angle_gamma [110.1538]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Si2(HgAu)5]
_chemical_formula_sum '[Si2 Hg5 Au5]'
_cell_volume [284.5022]
_cell_formula_units_Z [1]
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
[
  Si  Si0  2  0.0443  0.0751  0.2453  1
  Hg  Hg1  2  0.2260  0.4548  0.9034  1
  Hg  Hg2  2  0.2366  0.4700  0.3899  1
  Hg  Hg3  1  0.5000  0.0000  0.5000  1
  Au  Au4  2  0.1180  0.2317  0.6333  1
  Au  Au5  2  0.4522  0.9113  0.8417  1
  Au  Au6  1  0.0000  0.0000  0.0000  1
]