data_[Ba2Hg2Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [5.9299]
_cell_length_b [6.7236]
_cell_length_c [7.9247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.7791]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [BaHgAu3]
_chemical_formula_sum '[Ba2 Hg2 Au6]'
_cell_volume [262.6255]
_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
[
  Ba  Ba0  2  0.0000  0.2654  0.2500  1
  Hg  Hg1  2  0.5000  0.0365  0.7500  1
  Au  Au2  4  0.2524  0.2524  0.9298  1
  Au  Au3  2  0.5000  0.4677  0.7500  1
]