data_[Li3Mg10Al3]
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
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.2686]
_cell_length_b [8.2686]
_cell_length_c [5.7040]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Li3Mg10Al3]
_chemical_formula_sum '[Li3 Mg10 Al3]'
_cell_volume [337.7324]
_cell_formula_units_Z [1]
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  3  0.0000  0.4180  0.5000  1
  Mg  Mg1  4  0.3333  0.6667  0.7528  1
  Mg  Mg2  3  0.0000  0.2477  0.0000  1
  Mg  Mg3  3  0.0000  0.7685  0.5000  1
  Al  Al4  3  0.0000  0.6040  0.0000  1
]