data_[Li16Mg4Pd2]
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 [13.0806]
_cell_length_b [5.3474]
_cell_length_c [6.1447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5633]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8Mg2Pd]
_chemical_formula_sum '[Li16 Mg4 Pd2]'
_cell_volume [414.0453]
_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  0.0647  0.2517  0.3651  1.0
  Li  Li1  4  0.1049  0.5000  0.9725  1.0
  Li  Li2  4  0.2431  0.0000  0.3241  1.0
  Mg  Mg3  4  0.1650  0.0000  0.8193  1.0
  Pd  Pd4  2  0.0000  0.0000  0.0000  1.0
]