data_[Ba12Hg4Au2O2]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.0345]
_cell_length_b [8.5961]
_cell_length_c [13.7477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5938]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6Hg2AuO]
_chemical_formula_sum '[Ba12 Hg4 Au2 O2]'
_cell_volume [790.9092]
_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  0.1147  0.5240  0.2282  1.0
  Ba  Ba1  4  0.2142  0.2051  0.0538  1.0
  Ba  Ba2  4  0.3561  0.6738  0.0569  1.0
  Hg  Hg3  4  0.2915  0.5984  0.7501  1.0
  Au  Au4  2  0.5000  0.0000  0.0000  1.0
  O  O5  2  0.0000  0.0000  0.5000  1.0
]