data_[Sr12Hg4Au2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [7.5286]
_cell_length_b [8.2694]
_cell_length_c [12.9046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.0021]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr6Hg2AuO]
_chemical_formula_sum '[Sr12 Hg4 Au2 O2]'
_cell_volume [673.7729]
_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
[
  Sr  Sr0  4  0.1146  0.0262  0.7292  1.0
  Sr  Sr1  4  0.2137  0.7065  0.5541  1.0
  Sr  Sr2  4  0.3544  0.1728  0.5528  1.0
  Hg  Hg3  4  0.2895  0.0970  0.2518  1.0
  Au  Au4  2  0.5000  0.0000  0.0000  1.0
  O  O5  2  0.0000  0.0000  0.5000  1.0
]