data_[Li4Be4Al4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [9.1266]
_cell_length_b [3.8594]
_cell_length_c [4.6315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4720]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiBeAl]
_chemical_formula_sum '[Li4 Be4 Al4]'
_cell_volume [162.6413]
_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
[
  Li  Li0  4  0.0589  0.5000  0.2410  1
  Be  Be1  4  0.2468  0.0000  0.1182  1
  Al  Al2  4  0.1511  0.0000  0.6179  1
]