data_[La6Hg2O2]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.8479]
_cell_length_b [7.0925]
_cell_length_c [7.2819]
_cell_angle_alpha [61.7729]
_cell_angle_beta [76.7199]
_cell_angle_gamma [65.2171]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [La3HgO]
_chemical_formula_sum '[La6 Hg2 O2]'
_cell_volume [282.6979]
_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  1  0.3714  0.6377  0.8306  1.0
  La  La1  1  0.4434  0.7307  0.2730  1.0
  La  La2  1  0.4607  0.1809  0.7128  1.0
  La  La3  1  0.8933  0.6996  0.5067  1.0
  La  La4  1  0.9168  0.1508  0.9394  1.0
  La  La5  1  0.9804  0.2479  0.3909  1.0
  Hg  Hg6  1  0.4925  0.1804  0.2716  1.0
  Hg  Hg7  1  0.8640  0.6899  0.9522  1.0
  O  O8  1  0.2751  0.9292  0.9391  1.0
  O  O9  1  0.6644  0.4423  0.6147  1.0
]