data_[La6Hg6Pd6]
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 [Pmma]
_cell_length_a [13.7232]
_cell_length_b [3.9984]
_cell_length_c [8.0057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [LaHgPd]
_chemical_formula_sum '[La6 Hg6 Pd6]'
_cell_volume [439.2805]
_cell_formula_units_Z [6]
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  0.0494  0.0000  0.7601  1.0
  La  La1  2  0.2500  0.0000  0.1610  1.0
  Hg  Hg2  4  0.1144  0.5000  0.4295  1.0
  Hg  Hg3  2  0.2500  0.5000  0.8122  1.0
  Pd  Pd4  4  0.0948  0.5000  0.0629  1.0
  Pd  Pd5  2  0.2500  0.0000  0.5535  1.0
]