data_[K4Li2Y2F12]
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
  Y  1.2200  1.8000  1.0400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.0354]
_cell_length_b [6.0343]
_cell_length_c [10.4708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3080]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2LiYF6]
_chemical_formula_sum '[K4 Li2 Y2 F12]'
_cell_volume [311.1927]
_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  4  0.2516  0.5159  0.7494  1.0
  Li  Li1  2  0.0000  0.0000  0.5000  1.0
  Y  Y2  2  0.5000  0.0000  0.0000  1.0
  F  F3  4  0.2025  0.5073  0.2459  1.0
  F  F4  4  0.2403  0.2258  0.0221  1.0
  F  F5  4  0.2965  0.7184  0.0223  1.0
]