data_[Li2Be4Al2]
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 [Cm]
_cell_length_a [9.0062]
_cell_length_b [2.5467]
_cell_length_c [4.3867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0651]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiBe2Al]
_chemical_formula_sum '[Li2 Be4 Al2]'
_cell_volume [93.8916]
_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  2  0.4852  0.0000  0.4446  1
  Be  Be1  2  0.0242  0.0000  0.9750  1
  Be  Be2  2  0.2198  0.5000  0.2695  1
  Al  Al3  2  0.2709  0.0000  0.8109  1
]