data_[Li8Mg6Pd8]
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 [Immm]
_cell_length_a [3.0043]
_cell_length_b [3.7196]
_cell_length_c [30.6924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li4Mg3Pd4]
_chemical_formula_sum '[Li8 Mg6 Pd8]'
_cell_volume [342.9813]
_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  0.0000  0.5000  0.2269  1.0
  Li  Li1  4  0.0000  0.5000  0.4123  1.0
  Mg  Mg2  4  0.0000  0.5000  0.1389  1.0
  Mg  Mg3  2  0.0000  0.5000  0.5000  1.0
  Pd  Pd4  4  0.0000  0.5000  0.0483  1.0
  Pd  Pd5  4  0.0000  0.5000  0.3174  1.0
]