data_[Li12Mg4Pd4]
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 [P2/c]
_cell_length_a [7.0135]
_cell_length_b [5.6874]
_cell_length_c [9.0448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9251]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Li3MgPd]
_chemical_formula_sum '[Li12 Mg4 Pd4]'
_cell_volume [346.9359]
_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  0.0969  0.3135  0.4142  1.0
  Li  Li1  4  0.2684  0.4823  0.7034  1.0
  Li  Li2  4  0.4859  0.2469  0.0018  1.0
  Mg  Mg3  4  0.2538  0.0088  0.1905  1.0
  Pd  Pd4  4  0.1120  0.2009  0.9063  1.0
]