data_[K6Hf2F14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Hf  1.3000  1.5500  0.8500
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.5038]
_cell_length_b [8.4083]
_cell_length_c [6.8582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1590]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [K3HfF7]
_chemical_formula_sum '[K6 Hf2 F14]'
_cell_volume [405.7761]
_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  0.4977  0.2653  0.4962  1.0
  K  K1  2  0.0095  0.5000  0.0216  1.0
  Hf  Hf2  2  0.0470  0.0000  0.0302  1.0
  F  F3  4  0.1223  0.2127  0.2165  1.0
  F  F4  4  0.3609  0.3382  0.7776  1.0
  F  F5  2  0.1406  0.0000  0.8085  1.0
  F  F6  2  0.3451  0.0000  0.2593  1.0
  F  F7  2  0.3712  0.5000  0.1496  1.0
]