data_[Li2Mg1Al1]
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 [Pm]
_cell_length_a [2.8313]
_cell_length_b [4.4549]
_cell_length_c [5.8287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9366]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Li2MgAl]
_chemical_formula_sum '[Li2 Mg1 Al1]'
_cell_volume [71.3535]
_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  1  0.1219  0.0000  0.0067  1.0
  Li  Li1  1  0.1294  0.5000  0.7606  1.0
  Mg  Mg2  1  0.4621  0.0000  0.5050  1.0
  Al  Al3  1  0.7865  0.5000  0.2277  1.0
]