data_[K8Li4B4O12]
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
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.8322]
_cell_length_b [6.1758]
_cell_length_c [7.4330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2564]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [K2LiBO3]
_chemical_formula_sum '[K8 Li4 B4 O12]'
_cell_volume [396.2006]
_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  4  0.1737  0.6686  0.6752  1.0
  K  K1  2  0.0000  0.1664  0.5000  1.0
  K  K2  2  0.0000  0.9941  0.0000  1.0
  Li  Li3  4  0.1353  0.4054  0.9677  1.0
  B  B4  4  0.1486  0.6382  0.2159  1.0
  O  O5  4  0.0668  0.4400  0.2115  1.0
  O  O6  4  0.1320  0.8056  0.3338  1.0
  O  O7  4  0.2423  0.6626  0.0851  1.0
]