data_[Li12Cr3P6O24F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [P1]
_cell_length_a [6.4708]
_cell_length_b [10.0172]
_cell_length_c [10.0644]
_cell_angle_alpha [60.2416]
_cell_angle_beta [89.9034]
_cell_angle_gamma [89.8518]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li4CrP2(O4F)2]
_chemical_formula_sum '[Li12 Cr3 P6 O24 F6]'
_cell_volume [566.3307]
_cell_formula_units_Z [3]
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
[
  Li  Li0  1  0.0522  0.6691  0.6607  1
  Li  Li1  1  0.0705  0.3288  0.3411  1
  Li  Li2  1  0.2615  0.4780  0.9980  1
  Li  Li3  1  0.4439  0.6698  0.6618  1
  Li  Li4  1  0.4838  0.8319  0.3402  1
  Li  Li5  1  0.4927  0.3402  0.8218  1
  Li  Li6  1  0.4943  0.8345  0.8304  1
  Li  Li7  1  0.5051  0.3274  0.3424  1
  Li  Li8  1  0.5723  0.9999  0.0010  1
  Li  Li9  1  0.7355  0.1813  0.6720  1
  Li  Li10  1  0.7364  0.6767  0.1438  1
  Li  Li11  1  0.7383  0.1399  0.1816  1
  Cr  Cr12  1  0.9944  0.3317  0.8303  1
  Cr  Cr13  1  0.9970  0.8351  0.8337  1
  Cr  Cr14  1  0.9994  0.8322  0.3333  1
  P  P15  1  0.2512  0.7037  0.1396  1
  P  P16  1  0.2521  0.1451  0.1528  1
  P  P17  1  0.2555  0.1536  0.6982  1
  P  P18  1  0.7310  0.5081  0.9634  1
  P  P19  1  0.7311  0.5327  0.5084  1
  P  P20  1  0.7331  0.9578  0.5335  1
  O  O21  1  0.0547  0.7771  0.0375  1
  O  O22  1  0.0584  0.1924  0.7653  1
  O  O23  1  0.0586  0.0397  0.1899  1
  O  O24  1  0.2164  0.2687  0.9774  1
  O  O25  1  0.2169  0.7477  0.2682  1
  O  O26  1  0.2198  0.9773  0.7565  1
  O  O27  1  0.2540  0.5305  0.1990  1
  O  O28  1  0.2557  0.2341  0.2388  1
  O  O29  1  0.2576  0.2485  0.5254  1
  O  O30  1  0.4496  0.7850  0.0541  1
  O  O31  1  0.4506  0.0565  0.1634  1
  O  O32  1  0.4519  0.1637  0.7781  1
  O  O33  1  0.5311  0.5051  0.8824  1
  O  O34  1  0.5384  0.6202  0.5083  1
  O  O35  1  0.5415  0.8699  0.6211  1
  O  O36  1  0.7372  0.3874  0.1328  1
  O  O37  1  0.7373  0.4810  0.3897  1
  O  O38  1  0.7374  0.1277  0.4871  1
  O  O39  1  0.7656  0.6749  0.9359  1
  O  O40  1  0.7657  0.3932  0.6754  1
  O  O41  1  0.7707  0.9341  0.3923  1
  O  O42  1  0.9210  0.4888  0.8743  1
  O  O43  1  0.9212  0.6403  0.4916  1
  O  O44  1  0.9227  0.8656  0.6422  1
  F  F45  1  0.2049  0.4754  0.7047  1
  F  F46  1  0.2073  0.6937  0.8333  1
  F  F47  1  0.2094  0.8238  0.4728  1
  F  F48  1  0.7738  0.2024  0.9631  1
  F  F49  1  0.7749  0.9669  0.8295  1
  F  F50  1  0.7749  0.8309  0.2050  1
]