data_[Li8Mg6Pd2]
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 [19.6212]
_cell_length_b [3.1927]
_cell_length_c [4.7967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9877]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li4Mg3Pd]
_chemical_formula_sum '[Li8 Mg6 Pd2]'
_cell_volume [296.7947]
_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  0.1303  0.5000  0.5925  1
  Li  Li1  4  0.2456  0.5000  0.2441  1
  Mg  Mg2  4  0.1135  0.0000  0.0788  1
  Mg  Mg3  2  0.0000  0.0000  0.5000  1
  Pd  Pd4  2  0.0000  0.5000  0.0000  1
]