data_[La4Be4Al4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Be  1.5700  1.0500  0.5900
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3248]
_cell_length_b [3.9461]
_cell_length_c [5.6429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0775]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaBeAl]
_chemical_formula_sum '[La4 Be4 Al4]'
_cell_volume [252.4773]
_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  4  0.1173  0.5000  0.7762  1
  Be  Be1  4  0.2223  0.5000  0.3749  1
  Al  Al2  4  0.1035  0.0000  0.2377  1
]