data_[Sr12Hg4Au2]
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 [P2_1/c]
_cell_length_a [7.6282]
_cell_length_b [8.5880]
_cell_length_c [13.5949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.6061]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr6Hg2Au]
_chemical_formula_sum '[Sr12 Hg4 Au2]'
_cell_volume [750.2404]
_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  0.0980  0.1817  0.4368  1.0
  Sr  Sr1  4  0.2706  0.6790  0.4305  1.0
  Sr  Sr2  4  0.3982  0.0376  0.2483  1.0
  Hg  Hg3  4  0.1825  0.1187  0.7423  1.0
  Au  Au4  2  0.5000  0.0000  0.5000  1.0
]