data_[Li24Mg4Pd2]
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 [P4/nbm]
_cell_length_a [5.6306]
_cell_length_b [5.6306]
_cell_length_c [19.2920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [125]
_chemical_formula_structural [Li12Mg2Pd]
_chemical_formula_sum '[Li24 Mg4 Pd2]'
_cell_volume [611.6229]
_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  8  0.1781  0.3219  0.4346  1
  Li  Li1  8  0.2499  0.2501  0.0801  1
  Li  Li2  4  0.0000  0.0000  0.1970  1
  Li  Li3  4  0.0000  0.0000  0.3332  1
  Mg  Mg4  4  0.0000  0.5000  0.2707  1
  Pd  Pd5  2  0.0000  0.5000  0.0000  1
]