data_[La12Hg4Pd4]
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 [C2/m]
_cell_length_a [9.7991]
_cell_length_b [7.1409]
_cell_length_c [9.5947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0879]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3HgPd]
_chemical_formula_sum '[La12 Hg4 Pd4]'
_cell_volume [580.9130]
_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  0.0901  0.0000  0.2925  1
  La  La1  4  0.2067  0.5000  0.9034  1
  La  La2  4  0.2083  0.5000  0.3112  1
  Hg  Hg3  4  0.0000  0.2983  0.5000  1
  Pd  Pd4  4  0.0000  0.2771  0.0000  1
]