data_[Ba4Hg4C8O24]
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
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.3839]
_cell_length_b [11.5195]
_cell_length_c [7.2681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3100]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaHg(CO3)2]
_chemical_formula_sum '[Ba4 Hg4 C8 O24]'
_cell_volume [649.3954]
_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  4  0.0000  0.1631  0.2500  1
  Hg  Hg1  4  0.0000  0.3710  0.7500  1
  C  C2  8  0.2322  0.3910  0.2003  1
  O  O3  8  0.1050  0.3346  0.0533  1
  O  O4  8  0.1861  0.1751  0.6524  1
  O  O5  8  0.2429  0.0010  0.8121  1
]