data_[Li4Hg8Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5121]
_cell_length_b [4.1184]
_cell_length_c [8.2879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.9957]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiHg2Pd3]
_chemical_formula_sum '[Li4 Hg8 Pd12]'
_cell_volume [410.6766]
_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
[
  Li  Li0  4  0.0856  0.0000  0.2259  1.0
  Hg  Hg1  4  0.0781  0.5000  0.9360  1.0
  Hg  Hg2  4  0.2485  0.0000  0.6331  1.0
  Pd  Pd3  4  0.0778  0.0000  0.7020  1.0
  Pd  Pd4  4  0.0861  0.5000  0.4667  1.0
  Pd  Pd5  4  0.2444  0.0000  0.1202  1.0
]