data_[La4Hg8Pd8]
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/c]
_cell_length_a [5.0978]
_cell_length_b [9.5346]
_cell_length_c [9.8290]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4979]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La(HgPd)2]
_chemical_formula_sum '[La4 Hg8 Pd8]'
_cell_volume [471.1939]
_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  0.0000  0.3859  0.2500  1
  Hg  Hg1  8  0.0298  0.1532  0.9978  1
  Pd  Pd2  4  0.0000  0.0349  0.2500  1
  Pd  Pd3  4  0.0000  0.2987  0.7500  1
]