data_[La12Hg4O4]
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 [Cc]
_cell_length_a [7.0870]
_cell_length_b [12.3568]
_cell_length_c [7.2719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1961]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [La3HgO]
_chemical_formula_sum '[La12 Hg4 O4]'
_cell_volume [597.6677]
_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
[
  La  La0  4  0.1423  0.2566  0.6461  1.0
  La  La1  4  0.3600  0.4595  0.3679  1.0
  La  La2  4  0.3795  0.0383  0.4165  1.0
  Hg  Hg3  4  0.1550  0.2421  0.1114  1.0
  O  O4  4  0.1800  0.4370  0.5831  1.0
]