data_[K2Li2Be2]
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 [P1]
_cell_length_a [4.0310]
_cell_length_b [4.0352]
_cell_length_c [11.9290]
_cell_angle_alpha [98.5409]
_cell_angle_beta [90.4966]
_cell_angle_gamma [119.9147]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KLiBe]
_chemical_formula_sum '[K2 Li2 Be2]'
_cell_volume [165.5442]
_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
[
  K  K0  1  0.6311  0.7228  0.2088  1
  K  K1  1  0.8518  0.1290  0.8641  1
  Li  Li2  1  0.0432  0.5344  0.4348  1
  Li  Li3  1  0.1109  0.6588  0.6389  1
  Be  Be4  1  0.4103  0.2636  0.5371  1
  Be  Be5  1  0.7437  0.9307  0.5370  1
]