data_[Li24Mg34]
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 [I-43m]
_cell_length_a [10.6556]
_cell_length_b [10.6556]
_cell_length_c [10.6556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [217]
_chemical_formula_structural [Li12Mg17]
_chemical_formula_sum '[Li24 Mg34]'
_cell_volume [1209.8633]
_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  24  0.0889  0.0889  0.7243  1
  Mg  Mg1  24  0.0378  0.3574  0.6426  1
  Mg  Mg2  8  0.1798  0.8202  0.8202  1
  Mg  Mg3  2  0.0000  0.0000  0.0000  1
]