data_[Li4Mg16Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1973]
_cell_length_b [4.8036]
_cell_length_c [7.4047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1028]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Mg8Pd]
_chemical_formula_sum '[Li4 Mg16 Pd2]'
_cell_volume [441.2349]
_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
[
  Li  Li0  4  0.2261  0.0000  0.6397  1
  Mg  Mg1  4  0.0486  0.0000  0.7246  1
  Mg  Mg2  4  0.0953  0.5000  0.4372  1
  Mg  Mg3  4  0.1307  0.0000  0.1755  1
  Mg  Mg4  4  0.1739  0.5000  0.9220  1
  Pd  Pd5  2  0.0000  0.5000  0.0000  1
]