data_[La4Ce4Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.3000]
_cell_length_b [6.6596]
_cell_length_c [10.8849]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0760]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LaCeHg3]
_chemical_formula_sum '[La4 Ce4 Hg12]'
_cell_volume [544.9509]
_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  0.1741  0.6888  0.0449  1.0
  Ce  Ce1  4  0.3966  0.0986  0.8790  1.0
  Hg  Hg2  4  0.0190  0.0696  0.2535  1.0
  Hg  Hg3  4  0.2376  0.1706  0.0903  1.0
  Hg  Hg4  4  0.4182  0.6006  0.8577  1.0
]