data_[Sr4Hg16Au4]
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 [14.8719]
_cell_length_b [8.0284]
_cell_length_c [5.6563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9202]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrHg4Au]
_chemical_formula_sum '[Sr4 Hg16 Au4]'
_cell_volume [649.4368]
_cell_formula_units_Z [4]
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  0.2101  0.0000  0.1497  1.0
  Hg  Hg1  8  0.1221  0.1864  0.5793  1.0
  Hg  Hg2  4  0.0000  0.2087  0.0000  1.0
  Hg  Hg3  4  0.1547  0.5000  0.2604  1.0
  Au  Au4  4  0.0673  0.5000  0.7387  1.0
]