data_[K6Al4F14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Al  1.6100  1.2500  0.6750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3585]
_cell_length_b [7.1373]
_cell_length_c [10.2943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0411]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Al2F7]
_chemical_formula_sum '[K6 Al4 F14]'
_cell_volume [451.1765]
_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  0.1633  0.5000  0.3588  1
  K  K1  2  0.0000  0.5000  0.0000  1
  Al  Al2  4  0.0988  0.0000  0.1983  1
  F  F3  8  0.0767  0.1891  0.7914  1
  F  F4  4  0.2370  0.0000  0.3782  1
  F  F5  2  0.0000  0.0000  0.0000  1
]