data_[Ba12Hg4Pt2Au2]
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
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.1502]
_cell_length_b [8.9941]
_cell_length_c [14.5031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5333]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6Hg2PtAu]
_chemical_formula_sum '[Ba12 Hg4 Pt2 Au2]'
_cell_volume [886.1933]
_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  0.1055  0.5352  0.2437  1.0
  Ba  Ba1  4  0.2335  0.1915  0.0666  1.0
  Ba  Ba2  4  0.3828  0.6776  0.0645  1.0
  Hg  Hg3  4  0.3041  0.6107  0.7514  1.0
  Pt  Pt4  2  0.0000  0.0000  0.5000  1.0
  Au  Au5  2  0.5000  0.0000  0.0000  1.0
]