data_[Ba4Hg12Bi2Au2]
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
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [8.2048]
_cell_length_b [9.6955]
_cell_length_c [8.0144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ba2Hg6BiAu]
_chemical_formula_sum '[Ba4 Hg12 Bi2 Au2]'
_cell_volume [637.5434]
_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  4  0.0000  0.2424  0.3997  1
  Hg  Hg1  4  0.0000  0.2384  0.8655  1
  Hg  Hg2  4  0.1909  0.0000  0.6922  1
  Hg  Hg3  4  0.1937  0.5000  0.7084  1
  Bi  Bi4  2  0.0000  0.5000  0.0782  1
  Au  Au5  2  0.0000  0.0000  0.0981  1
]