data_[Li8Mg6Al2]
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 [Pmna]
_cell_length_a [6.7614]
_cell_length_b [6.7390]
_cell_length_c [6.8407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [53]
_chemical_formula_structural [Li4Mg3Al]
_chemical_formula_sum '[Li8 Mg6 Al2]'
_cell_volume [311.7011]
_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  4  0.2500  0.2666  0.7500  1
  Li  Li1  2  0.0000  0.0000  0.5000  1
  Li  Li2  2  0.0000  0.5000  0.5000  1
  Mg  Mg3  4  0.2500  0.2638  0.2500  1
  Mg  Mg4  2  0.0000  0.0000  0.0000  1
  Al  Al5  2  0.0000  0.5000  0.0000  1
]