data_[Li10Mg16Pd2]
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 [I-4]
_cell_length_a [8.2104]
_cell_length_b [8.2104]
_cell_length_c [8.7932]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Li5Mg8Pd]
_chemical_formula_sum '[Li10 Mg16 Pd2]'
_cell_volume [592.7541]
_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  0.1113  0.7137  0.1820  1
  Li  Li1  2  0.0000  0.0000  0.5000  1
  Mg  Mg2  8  0.0730  0.8136  0.8486  1
  Mg  Mg3  8  0.0747  0.6761  0.5099  1
  Pd  Pd4  2  0.0000  0.5000  0.7500  1
]