data_[La4Mg4Al4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.5275]
_cell_length_b [4.7719]
_cell_length_c [13.9006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [LaMgAl]
_chemical_formula_sum '[La4 Mg4 Al4]'
_cell_volume [300.3183]
_cell_formula_units_Z [4]
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
[
  La  La0  2  0.5000  0.0000  0.3339  1
  La  La1  2  0.5000  0.0000  0.6751  1
  Mg  Mg2  2  0.0000  0.0000  0.1406  1
  Mg  Mg3  2  0.5000  0.0000  0.9989  1
  Al  Al4  2  0.0000  0.0000  0.4999  1
  Al  Al5  2  0.0000  0.0000  0.8610  1
]