data_[Li4Mg8Pd12]
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 [Cmmm]
_cell_length_a [4.4704]
_cell_length_b [13.3838]
_cell_length_c [6.1104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [LiMg2Pd3]
_chemical_formula_sum '[Li4 Mg8 Pd12]'
_cell_volume [365.5865]
_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  0.3331  0.0000  1
  Mg  Mg1  4  0.0000  0.3335  0.5000  1
  Mg  Mg2  2  0.0000  0.0000  0.0000  1
  Mg  Mg3  2  0.0000  0.0000  0.5000  1
  Pd  Pd4  8  0.0000  0.1685  0.2425  1
  Pd  Pd5  4  0.0000  0.5000  0.2454  1
]