data_[Li9Cr4P4C4O28]
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
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.1790]
_cell_length_b [8.2292]
_cell_length_c [9.3904]
_cell_angle_alpha [106.5538]
_cell_angle_beta [105.8506]
_cell_angle_gamma [103.7089]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li9Cr4P4(CO7)4]
_chemical_formula_sum '[Li9 Cr4 P4 C4 O28]'
_cell_volume [547.7854]
_cell_formula_units_Z [1]
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  0.0020  0.4656  0.7187  1
  Li  Li1  1  0.0578  0.8084  0.1036  1
  Li  Li2  1  0.2798  0.2562  0.2715  1
  Li  Li3  1  0.4352  0.6799  0.8946  1
  Li  Li4  1  0.4953  0.9611  0.7189  1
  Li  Li5  1  0.5113  0.0327  0.2726  1
  Li  Li6  1  0.5598  0.3059  0.0923  1
  Li  Li7  1  0.7966  0.7391  0.2872  1
  Li  Li8  1  0.9392  0.1788  0.8964  1
  Cr  Cr9  1  0.0611  0.8120  0.6745  1
  Cr  Cr10  1  0.4329  0.6844  0.3255  1
  Cr  Cr11  1  0.5609  0.3146  0.6741  1
  Cr  Cr12  1  0.9376  0.1909  0.3250  1
  P  P13  1  0.1983  0.9517  0.4136  1
  P  P14  1  0.3038  0.5525  0.5814  1
  P  P15  1  0.6963  0.4401  0.4174  1
  P  P16  1  0.7999  0.0556  0.5807  1
  C  C17  1  0.2409  0.4919  0.0438  1
  C  C18  1  0.2655  0.0054  0.9714  1
  C  C19  1  0.7369  0.9969  0.0460  1
  C  C20  1  0.7527  0.5101  0.9529  1
  O  O21  1  0.0485  0.8234  0.4362  1
  O  O22  1  0.1110  0.0503  0.3089  1
  O  O23  1  0.1225  0.4027  0.9060  1
  O  O24  1  0.1256  0.8764  0.9503  1
  O  O25  1  0.1693  0.4006  0.4241  1
  O  O26  1  0.2140  0.6419  0.6923  1
  O  O27  1  0.2318  0.4526  0.1687  1
  O  O28  1  0.2837  0.8467  0.3016  1
  O  O29  1  0.2979  0.0240  0.8479  1
  O  O30  1  0.3477  0.0824  0.5746  1
  O  O31  1  0.3747  0.1194  0.1146  1
  O  O32  1  0.3822  0.6347  0.0800  1
  O  O33  1  0.4194  0.6992  0.5386  1
  O  O34  1  0.4276  0.4861  0.6917  1
  O  O35  1  0.5502  0.3088  0.4512  1
  O  O36  1  0.6026  0.5383  0.3164  1
  O  O37  1  0.6094  0.3699  0.9176  1
  O  O38  1  0.6202  0.9040  0.9085  1
  O  O39  1  0.6570  0.9086  0.4201  1
  O  O40  1  0.7068  0.1493  0.6890  1
  O  O41  1  0.7212  0.9675  0.1743  1
  O  O42  1  0.7600  0.3220  0.2971  1
  O  O43  1  0.7922  0.5201  0.8291  1
  O  O44  1  0.8413  0.6272  0.0925  1
  O  O45  1  0.8480  0.5685  0.5721  1
  O  O46  1  0.8822  0.1329  0.0794  1
  O  O47  1  0.9132  0.9840  0.6891  1
  O  O48  1  0.9169  0.1998  0.5372  1
]