data_[Li16Mg2Pd4]
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 [14.2891]
_cell_length_b [5.3070]
_cell_length_c [5.0711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9364]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8MgPd2]
_chemical_formula_sum '[Li16 Mg2 Pd4]'
_cell_volume [382.4860]
_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  0.1000  0.2456  0.5368  1
  Li  Li1  4  0.0998  0.5000  0.0402  1
  Li  Li2  4  0.2156  0.0000  0.1087  1
  Mg  Mg3  2  0.0000  0.0000  0.0000  1
  Pd  Pd4  4  0.2422  0.5000  0.3895  1
]