data_[La4Hg16Pd4]
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 [Cmc2_1]
_cell_length_a [5.0881]
_cell_length_b [16.9150]
_cell_length_c [6.9472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LaHg4Pd]
_chemical_formula_sum '[La4 Hg16 Pd4]'
_cell_volume [597.9111]
_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  0.1683  0.9300  1
  Hg  Hg1  4  0.0000  0.0288  0.2976  1
  Hg  Hg2  4  0.0000  0.2052  0.4022  1
  Hg  Hg3  4  0.0000  0.3614  0.1037  1
  Hg  Hg4  4  0.0000  0.4638  0.4969  1
  Pd  Pd5  4  0.0000  0.3188  0.7029  1
]