data_[Si2Hg4Au2]
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 [C2/m]
_cell_length_a [8.1458]
_cell_length_b [3.5198]
_cell_length_c [6.2384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7739]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SiHg2Au]
_chemical_formula_sum '[Si2 Hg4 Au2]'
_cell_volume [172.9532]
_cell_formula_units_Z [2]
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  0.0000  0.5000  0.0000  1
  Hg  Hg1  4  0.2466  0.0000  0.2396  1
  Au  Au2  2  0.0000  0.0000  0.5000  1
]