# generated using pymatgen
data_CaMnP2H14(C4O3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03747878
_cell_length_b   8.87045283
_cell_length_c   14.83288097
_cell_angle_alpha   72.60471376
_cell_angle_beta   86.35606815
_cell_angle_gamma   77.69462367
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMnP2H14(C4O3)3
_chemical_formula_sum   'Ca2 Mn2 P4 H28 C24 O18'
_cell_volume   863.30308164
_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  0.07091827  0.27619273  0.95653145  1
  Ca  Ca1  1  0.57096264  0.23269330  0.04346508  1
  Mn  Mn2  1  0.31924292  0.75560708  0.99919086  1
  Mn  Mn3  1  0.81925424  0.75480001  0.00079945  1
  P  P4  1  0.50285469  0.06698465  0.87820131  1
  P  P5  1  0.00295309  0.94516978  0.12180292  1
  P  P6  1  0.64103059  0.56565916  0.87779313  1
  P  P7  1  0.14113063  0.44345498  0.12220074  1
  H  H8  1  0.12957277  0.04851112  0.85284903  1
  H  H9  1  0.62964694  0.90132040  0.14715482  1
  H  H10  1  0.90469405  0.08473847  0.87019910  1
  H  H11  1  0.40476057  0.95491550  0.12980810  1
  H  H12  1  0.24040666  0.55288763  0.87019968  1
  H  H13  1  0.74048365  0.42312105  0.12977750  1
  H  H14  1  0.01509020  0.60934014  0.85571454  1
  H  H15  1  0.51517520  0.46508726  0.14425861  1
  H  H16  1  0.30288869  0.34937522  0.73238655  1
  H  H17  1  0.80305953  0.08190418  0.26749721  1
  H  H18  1  0.33363370  0.43129869  0.55700425  1
  H  H19  1  0.83353008  0.98852164  0.44289785  1
  H  H20  1  0.59863833  0.28044260  0.47953852  1
  H  H21  1  0.09830346  0.76006225  0.52050080  1
  H  H22  1  0.83213040  0.04517733  0.57753312  1
  H  H23  1  0.33192163  0.62267698  0.42263365  1
  H  H24  1  0.78966916  0.95204237  0.75187822  1
  H  H25  1  0.28971552  0.70383964  0.24825099  1
  H  H26  1  0.36218237  0.80805349  0.74801862  1
  H  H27  1  0.86240956  0.55595706  0.25204287  1
  H  H28  1  0.33330102  0.89328111  0.57275903  1
  H  H29  1  0.83368003  0.46573805  0.42730212  1
  H  H30  1  0.57887782  0.76132351  0.47702626  1
  H  H31  1  0.07935015  0.23796686  0.52296154  1
  H  H32  1  0.84382731  0.53519958  0.55718534  1
  H  H33  1  0.34418487  0.09209841  0.44272638  1
  H  H34  1  0.85868259  0.43528444  0.73292427  1
  H  H35  1  0.35886378  0.16810059  0.26698340  1
  C  C36  1  0.54246199  0.14461481  0.75197668  1
  C  C37  1  0.04255715  0.89659794  0.24803652  1
  C  C38  1  0.41559717  0.28035959  0.69811464  1
  C  C39  1  0.91566633  0.97857379  0.30183118  1
  C  C40  1  0.43477588  0.32787100  0.59983202  1
  C  C41  1  0.93469302  0.92784048  0.40012480  1
  C  C42  1  0.58393068  0.24288410  0.55635633  1
  C  C43  1  0.08373081  0.79930387  0.44367583  1
  C  C44  1  0.71450976  0.11008572  0.61126843  1
  C  C45  1  0.21437664  0.72135220  0.38883162  1
  C  C46  1  0.69226043  0.05903536  0.70930948  1
  C  C47  1  0.19228322  0.76830612  0.29077685  1
  C  C48  1  0.61159659  0.61604895  0.75053719  1
  C  C49  1  0.11180744  0.36650269  0.24944936  1
  C  C50  1  0.46371384  0.74485444  0.70625859  1
  C  C51  1  0.96397187  0.45097020  0.29377234  1
  C  C52  1  0.44969051  0.79465853  0.60781213  1
  C  C53  1  0.95004186  0.40221832  0.39222072  1
  C  C54  1  0.58738953  0.72002688  0.55409015  1
  C  C55  1  0.08778394  0.27381359  0.44589814  1
  C  C56  1  0.73597791  0.59229919  0.59908355  1
  C  C57  1  0.23631615  0.19114193  0.40085859  1
  C  C58  1  0.74631373  0.53792611  0.69770867  1
  C  C59  1  0.24655493  0.23549759  0.30223440  1
  O  O60  1  0.39868107  0.20424043  0.91689622  1
  O  O61  1  0.89878213  0.12112190  0.08309657  1
  O  O62  1  0.37825942  0.94235376  0.88137277  1
  O  O63  1  0.87834548  0.82372257  0.11861750  1
  O  O64  1  0.70704285  1.00014791  0.92191320  1
  O  O65  1  0.20713596  0.92200630  0.07811757  1
  O  O66  1  0.06919301  0.78059571  0.94856345  1
  O  O67  1  0.56924110  0.72915466  0.05141766  1
  O  O68  1  0.01569469  0.13869567  0.84624504  1
  O  O69  1  0.51579182  0.98491285  0.15375880  1
  O  O70  1  0.12635103  0.52466529  0.84762020  1
  O  O71  1  0.62644646  0.37231803  0.15234820  1
  O  O72  1  0.74263509  0.38906002  0.91731547  1
  O  O73  1  0.24273463  0.30639968  0.08266625  1
  O  O74  1  0.43488385  0.59121116  0.91891851  1
  O  O75  1  0.93494990  0.51013248  0.08107513  1
  O  O76  1  0.76603847  0.68555533  0.88313394  1
  O  O77  1  0.26610161  0.56871117  0.11686904  1
