data_[La4Hg12Pd4]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.8594]
_cell_length_b [5.0896]
_cell_length_c [8.7896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LaHg3Pd]
_chemical_formula_sum '[La4 Hg12 Pd4]'
_cell_volume [485.8043]
_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  0.2425  0.2500  0.0638  1.0
  Hg  Hg1  4  0.0793  0.2500  0.4255  1.0
  Hg  Hg2  4  0.0868  0.7500  0.8839  1.0
  Hg  Hg3  4  0.0932  0.7500  0.2310  1.0
  Pd  Pd4  4  0.1547  0.2500  0.7362  1.0
]