data_[La12Hg4Pd2]
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 [P2_1/c]
_cell_length_a [6.4698]
_cell_length_b [8.3414]
_cell_length_c [12.5467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.9121]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La6Hg2Pd]
_chemical_formula_sum '[La12 Hg4 Pd2]'
_cell_volume [586.9124]
_cell_formula_units_Z [2]
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  0.0777  0.1984  0.4530  1.0
  La  La1  4  0.3199  0.6532  0.4546  1.0
  La  La2  4  0.3706  0.0285  0.2438  1.0
  Hg  Hg3  4  0.1366  0.1191  0.7358  1.0
  Pd  Pd4  2  0.5000  0.0000  0.5000  1.0
]