data_[La20Fe8Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Fe  1.8300  1.4000  0.8525
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [17.0018]
_cell_length_b [7.6540]
_cell_length_c [7.7760]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [La5(FeHg)2]
_chemical_formula_sum '[La20 Fe8 Hg8]'
_cell_volume [1011.8963]
_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  16  0.1211  0.1807  0.6807  1
  La  La1  4  0.0000  0.0000  0.0000  1
  Fe  Fe2  8  0.0000  0.1049  0.3978  1
  Hg  Hg3  8  0.2227  0.0000  0.0000  1
]