data_[K2Ba4Li2F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.0451]
_cell_length_b [6.7293]
_cell_length_c [10.4256]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7753]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KBa2LiF6]
_chemical_formula_sum '[K2 Ba4 Li2 F12]'
_cell_volume [348.3583]
_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  0.5000  0.0000  0.0000  1
  Ba  Ba1  4  0.2743  0.0841  0.2545  1
  Li  Li2  2  0.0000  0.0000  0.5000  1
  F  F3  4  0.1030  0.0493  0.7196  1
  F  F4  4  0.2295  0.7050  0.5697  1
  F  F5  4  0.3447  0.1647  0.5500  1
]