data_[Sr16Hg4Au2]
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 [C2/m]
_cell_length_a [20.8268]
_cell_length_b [5.5832]
_cell_length_c [7.8426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7329]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr8Hg2Au]
_chemical_formula_sum '[Sr16 Hg4 Au2]'
_cell_volume [881.9503]
_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
[
  Sr  Sr0  4  0.0325  0.0000  0.7976  1.0
  Sr  Sr1  4  0.0913  0.5000  0.4329  1.0
  Sr  Sr2  4  0.1596  0.5000  0.9713  1.0
  Sr  Sr3  4  0.2127  0.0000  0.3222  1.0
  Hg  Hg4  4  0.1865  0.0000  0.7253  1.0
  Au  Au5  2  0.0000  0.5000  0.0000  1.0
]