data_[La3Be2Hg1Pd9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Be  1.5700  1.0500  0.5900
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.9468]
_cell_length_b [6.9468]
_cell_length_c [7.0922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [La3Be2HgPd9]
_chemical_formula_sum '[La3 Be2 Hg1 Pd9]'
_cell_volume [296.4040]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.6647  1
  La  La1  1  0.0000  0.0000  0.0000  1
  Be  Be2  2  0.3333  0.6667  0.1213  1
  Hg  Hg3  1  0.0000  0.0000  0.5000  1
  Pd  Pd4  6  0.1928  0.8072  0.3180  1
  Pd  Pd5  3  0.0000  0.5000  0.0000  1
]