data_[Li1La2Hg6Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [P-1]
_cell_length_a [6.4663]
_cell_length_b [6.5356]
_cell_length_c [6.6111]
_cell_angle_alpha [77.5394]
_cell_angle_beta [75.8338]
_cell_angle_gamma [76.6177]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiLa2Hg6Pd]
_chemical_formula_sum '[Li1 La2 Hg6 Pd1]'
_cell_volume [259.7657]
_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
[
  Li  Li0  1  0.5000  0.5000  0.5000  1
  La  La1  2  0.2123  0.2087  0.2090  1
  Hg  Hg2  2  0.1329  0.6963  0.3599  1
  Hg  Hg3  2  0.3045  0.6326  0.8722  1
  Hg  Hg4  2  0.3608  0.1316  0.6900  1
  Pd  Pd5  1  0.0000  0.0000  0.0000  1
]