data_[Ba2In2Hg4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.5915]
_cell_length_b [4.8600]
_cell_length_c [12.9331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [BaInHg2Au]
_chemical_formula_sum '[Ba2 In2 Hg4 Au2]'
_cell_volume [288.6003]
_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  0.0000  0.4358  1.0
  In  In1  2  0.0000  0.5000  0.1953  1.0
  Hg  Hg2  2  0.0000  0.0000  0.0503  1.0
  Hg  Hg3  2  0.0000  0.5000  0.7012  1.0
  Au  Au4  2  0.0000  0.0000  0.8296  1.0
]