data_[Li8Mg4Pd6]
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 [12.0497]
_cell_length_b [3.8752]
_cell_length_c [6.4618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8021]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li4Mg2Pd3]
_chemical_formula_sum '[Li8 Mg4 Pd6]'
_cell_volume [282.0646]
_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  0.0538  0.5000  0.3544  1.0
  Li  Li1  4  0.2190  0.0000  0.3423  1.0
  Mg  Mg2  4  0.1557  0.5000  0.9914  1.0
  Pd  Pd3  4  0.1175  0.0000  0.6751  1.0
  Pd  Pd4  2  0.0000  0.0000  0.0000  1.0
]