data_[K8Cr8P8O32F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cr  1.6600  1.4000  0.9400
  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 [12.9451]
_cell_length_b [6.4296]
_cell_length_c [10.7134]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [KCrPO4F]
_chemical_formula_sum '[K8 Cr8 P8 O32 F8]'
_cell_volume [891.6972]
_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  0.1041  0.7025  0.1918  1
  K  K1  4  0.1189  0.2763  0.4473  1
  Cr  Cr2  4  0.1152  0.9989  0.7482  1
  Cr  Cr3  4  0.2468  0.2520  0.0001  1
  P  P4  4  0.0009  0.8298  0.4976  1
  P  P5  4  0.1816  0.5023  0.7481  1
  O  O6  4  0.0102  0.0325  0.8785  1
  O  O7  4  0.0157  0.9852  0.6078  1
  O  O8  4  0.0943  0.3106  0.0189  1
  O  O9  4  0.0986  0.6923  0.4805  1
  O  O10  4  0.1115  0.6915  0.7745  1
  O  O11  4  0.1122  0.3107  0.7191  1
  O  O12  4  0.2449  0.0398  0.1349  1
  O  O13  4  0.2456  0.9564  0.3607  1
  F  F14  4  0.2279  0.0274  0.8745  1
  F  F15  4  0.2290  0.9793  0.6212  1
]