data_[Ba24Hg12O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [13.5209]
_cell_length_b [16.8841]
_cell_length_c [7.8787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba6Hg3O]
_chemical_formula_sum '[Ba24 Hg12 O4]'
_cell_volume [1798.6177]
_cell_formula_units_Z [4]
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  8  0.1520  0.2689  0.1769  1
  Ba  Ba1  8  0.1699  0.4685  0.6953  1
  Ba  Ba2  4  0.0000  0.0605  0.1137  1
  Ba  Ba3  4  0.0000  0.2275  0.7147  1
  Hg  Hg4  8  0.1612  0.1008  0.4866  1
  Hg  Hg5  4  0.0000  0.4017  0.4031  1
  O  O6  4  0.0000  0.2083  0.0362  1
]