data_[Li14Mg4Al4]
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 [C2/m]
_cell_length_a [9.3395]
_cell_length_b [9.6611]
_cell_length_c [4.9113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5278]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li7(MgAl)2]
_chemical_formula_sum '[Li14 Mg4 Al4]'
_cell_volume [412.2329]
_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  8  0.1700  0.2354  0.6612  1
  Li  Li1  4  0.0806  0.5000  0.2843  1
  Li  Li2  2  0.0000  0.0000  0.5000  1
  Mg  Mg3  4  0.2024  0.0000  0.1021  1
  Al  Al4  4  0.0000  0.2359  0.0000  1
]