data_[Li6Mg2Al4O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.0270]
_cell_length_b [8.6941]
_cell_length_c [5.0307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5821]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3MgAl2O6]
_chemical_formula_sum '[Li6 Mg2 Al4 O12]'
_cell_volume [207.1504]
_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  0.0000  0.1659  0.5000  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  Mg  Mg2  2  0.0000  0.0000  0.0000  1.0
  Al  Al3  4  0.0000  0.3339  0.0000  1.0
  O  O4  8  0.2492  0.3234  0.7796  1.0
  O  O5  4  0.2219  0.5000  0.2239  1.0
]