data_[K4Li4Be4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Be  1.5700  1.0500  0.5900
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.6177]
_cell_length_b [4.0980]
_cell_length_c [6.4008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.0913]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KLiBe]
_chemical_formula_sum '[K4 Li4 Be4]'
_cell_volume [330.7475]
_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
[
  K  K0  2  0.1342  0.0000  0.7467  1
  K  K1  2  0.2103  0.5000  0.2360  1
  Li  Li2  2  0.4085  0.0000  0.5468  1
  Li  Li3  2  0.4577  0.5000  0.1821  1
  Be  Be4  2  0.3799  0.5000  0.8241  1
  Be  Be5  2  0.3968  0.0000  0.9317  1
]