data_[La6Hg8Pd8]
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 [Immm]
_cell_length_a [4.1851]
_cell_length_b [8.2281]
_cell_length_c [15.2487]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La3(HgPd)4]
_chemical_formula_sum '[La6 Hg8 Pd8]'
_cell_volume [525.0937]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.1266  1.0
  La  La1  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg2  8  0.0000  0.1947  0.3329  1.0
  Pd  Pd3  4  0.0000  0.3220  0.5000  1.0
  Pd  Pd4  4  0.0000  0.5000  0.2282  1.0
]