data_[Li24Mg16]
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
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [10.0269]
_cell_length_b [14.3999]
_cell_length_c [5.5648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Li3Mg2]
_chemical_formula_sum '[Li24 Mg16]'
_cell_volume [803.4880]
_cell_formula_units_Z [8]
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  16  0.0354  0.0996  0.7776  1.0
  Li  Li1  8  0.0000  0.0000  0.3153  1.0
  Mg  Mg2  16  0.0252  0.1986  0.2499  1.0
]