# generated using pymatgen
data_CaFeP2H14(C4O3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03250971
_cell_length_b   8.85632298
_cell_length_c   14.80842537
_cell_angle_alpha   72.60368005
_cell_angle_beta   86.33509976
_cell_angle_gamma   77.62322893
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaFeP2H14(C4O3)3
_chemical_formula_sum   'Ca2 Fe2 P4 H28 C24 O18'
_cell_volume   859.65996941
_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
  Ca  Ca0  1  0.07085136  0.27662352  0.95535456  1
  Ca  Ca1  1  0.57090656  0.23192656  0.04465699  1
  Fe  Fe2  1  0.31350980  0.75632496  0.99755116  1
  Fe  Fe3  1  0.81345108  0.75388208  0.00243828  1
  P  P4  1  0.50236761  0.06359264  0.87938052  1
  P  P5  1  0.00245117  0.94295720  0.12063482  1
  P  P6  1  0.64060823  0.56741951  0.87905157  1
  P  P7  1  0.14069409  0.44650497  0.12093460  1
  H  H8  1  0.12957432  0.04860319  0.85229339  1
  H  H9  1  0.62965474  0.90081979  0.14774082  1
  H  H10  1  0.90543219  0.08112448  0.87226578  1
  H  H11  1  0.40551764  0.95329258  0.12772552  1
  H  H12  1  0.24256001  0.55307364  0.87121279  1
  H  H13  1  0.74257912  0.42437944  0.12876137  1
  H  H14  1  0.01682324  0.60977393  0.85871513  1
  H  H15  1  0.51685413  0.46860835  0.14123088  1
  H  H16  1  0.30247672  0.34350939  0.73587133  1
  H  H17  1  0.80268071  0.07951531  0.26399790  1
  H  H18  1  0.33286147  0.42960161  0.55976183  1
  H  H19  1  0.83275190  0.98959102  0.44012764  1
  H  H20  1  0.59840814  0.28020466  0.48131062  1
  H  H21  1  0.09804512  0.76162234  0.51873442  1
  H  H22  1  0.83362115  0.04367476  0.57810493  1
  H  H23  1  0.33339705  0.62172484  0.42208215  1
  H  H24  1  0.79325719  0.94919497  0.75347408  1
  H  H25  1  0.29337233  0.70254748  0.24669032  1
  H  H26  1  0.35936866  0.80902124  0.74972392  1
  H  H27  1  0.85958940  0.55861148  0.25034089  1
  H  H28  1  0.33185082  0.89386909  0.57355688  1
  H  H29  1  0.83221719  0.46709730  0.42650064  1
  H  H30  1  0.57850486  0.75945736  0.47879772  1
  H  H31  1  0.07898762  0.23786071  0.52119033  1
  H  H32  1  0.84380009  0.53331765  0.55977984  1
  H  H33  1  0.34415477  0.09279246  0.44012568  1
  H  H34  1  0.86031129  0.43831081  0.73618724  1
  H  H35  1  0.36047724  0.17436607  0.26371811  1
  C  C36  1  0.54477302  0.14101222  0.75368527  1
  C  C37  1  0.04489764  0.89468037  0.24633429  1
  C  C38  1  0.41546599  0.27622790  0.70054368  1
  C  C39  1  0.91555850  0.97685681  0.29939482  1
  C  C40  1  0.43452954  0.32565374  0.60221498  1
  C  C41  1  0.93443614  0.92800416  0.39773215  1
  C  C42  1  0.58443905  0.24152620  0.55826165  1
  C  C43  1  0.08421748  0.79984972  0.44177525  1
  C  C44  1  0.71615044  0.10802197  0.61253881  1
  C  C45  1  0.21600677  0.72053858  0.38757765  1
  C  C46  1  0.69482967  0.05589720  0.71066098  1
  C  C47  1  0.19486172  0.76649294  0.28943946  1
  C  C48  1  0.61076912  0.61866965  0.75204261  1
  C  C49  1  0.11099866  0.37063692  0.24793734  1
  C  C50  1  0.46233491  0.74708255  0.70759126  1
  C  C51  1  0.96260236  0.45451558  0.29243793  1
  C  C52  1  0.44867310  0.79563204  0.60910084  1
  C  C53  1  0.94903888  0.40447098  0.39092937  1
  C  C54  1  0.58706756  0.71947862  0.55594873  1
  C  C55  1  0.08747634  0.27512202  0.44403847  1
  C  C56  1  0.73658128  0.59223813  0.60131217  1
  C  C57  1  0.23692022  0.19329582  0.39862815  1
  C  C58  1  0.74791852  0.54047832  0.69994594  1
  C  C59  1  0.24816433  0.24027679  0.29999335  1
  O  O60  1  0.39894920  0.20099924  0.91825109  1
  O  O61  1  0.89901445  0.11923521  0.08177678  1
  O  O62  1  0.37523622  0.94098148  0.88150084  1
  O  O63  1  0.87533555  0.82249861  0.11849546  1
  O  O64  1  0.70665565  0.99472554  0.92382102  1
  O  O65  1  0.20672081  0.91855857  0.07618725  1
  O  O66  1  0.07135448  0.77866211  0.95406262  1
  O  O67  1  0.57092022  0.73272175  0.04590073  1
  O  O68  1  0.01343905  0.13731049  0.84558018  1
  O  O69  1  0.51351370  0.98281861  0.15442182  1
  O  O70  1  0.12787361  0.52692254  0.84783217  1
  O  O71  1  0.62790888  0.37486029  0.15213143  1
  O  O72  1  0.74089661  0.39040627  0.91834246  1
  O  O73  1  0.24099644  0.30879750  0.08164099  1
  O  O74  1  0.43364217  0.59412405  0.92009838  1
  O  O75  1  0.93370319  0.51424442  0.07988322  1
  O  O76  1  0.76724310  0.68624526  0.88469264  1
  O  O77  1  0.26725347  0.57104695  0.11529219  1
