data_[Li4Mg20Pd4]
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/c]
_cell_length_a [7.7183]
_cell_length_b [8.0259]
_cell_length_c [9.9045]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1016]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiMg5Pd]
_chemical_formula_sum '[Li4 Mg20 Pd4]'
_cell_volume [576.1726]
_cell_formula_units_Z [4]
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  0.0000  0.0000  1
  Mg  Mg1  8  0.1158  0.3600  0.5290  1
  Mg  Mg2  8  0.2022  0.1898  0.8310  1
  Mg  Mg3  4  0.0000  0.1619  0.2500  1
  Pd  Pd4  4  0.0000  0.4905  0.7500  1
]