data_[La4Hg2Ru2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Hg  2.0000  1.5000  1.2450
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.5865]
_cell_length_b [7.1365]
_cell_length_c [7.7817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5382]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2HgRuO8]
_chemical_formula_sum '[La4 Hg2 Ru2 O16]'
_cell_volume [364.0700]
_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
[
  La  La0  4  0.0570  0.5000  0.7525  1.0
  Hg  Hg1  2  0.0000  0.0000  0.5000  1.0
  Ru  Ru2  2  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.0692  0.1842  0.1725  1.0
  O  O4  4  0.1948  0.5000  0.4807  1.0
  O  O5  4  0.2280  0.5000  0.0502  1.0
]