data_[Mg4Ti8Hg4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ti  1.5400  1.4000  0.8517
  Hg  2.0000  1.5000  1.2450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.6539]
_cell_length_b [11.2609]
_cell_length_c [6.0973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.2566]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MgTi2HgO6]
_chemical_formula_sum '[Mg4 Ti8 Hg4 O24]'
_cell_volume [589.2453]
_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
[
  Mg  Mg0  4  0.0000  0.1951  0.7500  1.0
  Ti  Ti1  8  0.1508  0.4202  0.1949  1.0
  Hg  Hg2  4  0.0000  0.1075  0.2500  1.0
  O  O3  8  0.1026  0.2757  0.0683  1.0
  O  O4  8  0.1195  0.4562  0.4715  1.0
  O  O5  8  0.1291  0.0878  0.6497  1.0
]