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 [C2/m]
_cell_length_a [12.0307]
_cell_length_b [5.2327]
_cell_length_c [9.0426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3336]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3HgO]
_chemical_formula_sum '[La12 Hg4 O4]'
_cell_volume [522.7039]
_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  0.1095  0.0000  0.1954  1.0
  La  La1  4  0.1396  0.5000  0.9274  1.0
  La  La2  4  0.1469  0.0000  0.6550  1.0
  Hg  Hg3  4  0.1017  0.5000  0.4253  1.0
  O  O4  4  0.1223  0.0000  0.9221  1.0
]