data_[K8Fe8P8O32F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Fe  1.8300  1.4000  0.8525
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [13.0524]
_cell_length_b [6.4468]
_cell_length_c [10.8044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [KFePO4F]
_chemical_formula_sum '[K8 Fe8 P8 O32 F8]'
_cell_volume [909.1510]
_cell_formula_units_Z [8]
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  0.1051  0.6974  0.4428  1
  K  K1  4  0.1247  0.2727  0.7031  1
  Fe  Fe2  4  0.1115  0.9933  0.9991  1
  Fe  Fe3  4  0.2469  0.2509  0.2487  1
  P  P4  4  0.0000  0.8301  0.7478  1
  P  P5  4  0.1827  0.4981  0.9961  1
  O  O6  4  0.0113  0.0291  0.1311  1
  O  O7  4  0.0140  0.9811  0.8591  1
  O  O8  4  0.0957  0.3073  0.2673  1
  O  O9  4  0.0968  0.6940  0.7297  1
  O  O10  4  0.1130  0.3080  0.9692  1
  O  O11  4  0.1152  0.6896  0.0233  1
  O  O12  4  0.2446  0.9520  0.6072  1
  O  O13  4  0.2470  0.0359  0.3813  1
  F  F14  4  0.2276  0.9810  0.8686  1
  F  F15  4  0.2304  0.0261  0.1198  1
]