data_[K4Ba2Li2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.3118]
_cell_length_b [4.5204]
_cell_length_c [7.9026]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9583]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [K2BaLi]
_chemical_formula_sum '[K4 Ba2 Li2]'
_cell_volume [459.6834]
_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  2  0.0128  0.0000  0.0081  1
  K  K1  2  0.3052  0.5000  0.2341  1
  Ba  Ba2  2  0.2014  0.0000  0.6452  1
  Li  Li3  2  0.4807  0.0000  0.6125  1
]