# generated using pymatgen
data_CaCrP2H14(C4O3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03200742
_cell_length_b   8.85547370
_cell_length_c   14.80506983
_cell_angle_alpha   72.60133705
_cell_angle_beta   86.33110664
_cell_angle_gamma   77.61138007
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCrP2H14(C4O3)3
_chemical_formula_sum   'Ca2 Cr2 P4 H28 C24 O18'
_cell_volume   859.27134953
_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  0.07060953  0.27667066  0.95515521  1
  Ca  Ca1  1  0.57066858  0.23176918  0.04486240  1
  Cr  Cr2  1  0.31979610  0.75606906  0.99846218  1
  Cr  Cr3  1  0.81980563  0.75453338  0.00152541  1
  P  P4  1  0.50308026  0.06056570  0.88007203  1
  P  P5  1  0.00317726  0.94062031  0.11993314  1
  P  P6  1  0.63956962  0.56983543  0.87960832  1
  P  P7  1  0.13966904  0.44946230  0.12038050  1
  H  H8  1  0.12957572  0.05015472  0.85158327  1
  H  H9  1  0.62964674  0.90164389  0.14844619  1
  H  H10  1  0.90516727  0.08204712  0.87135756  1
  H  H11  1  0.40524211  0.95332311  0.12863247  1
  H  H12  1  0.24252302  0.55328103  0.87064094  1
  H  H13  1  0.74254711  0.42403428  0.12932535  1
  H  H14  1  0.01653244  0.60901266  0.85754215  1
  H  H15  1  0.51655987  0.46665174  0.14241715  1
  H  H16  1  0.30256514  0.34336042  0.73605556  1
  H  H17  1  0.80276126  0.07955751  0.26381830  1
  H  H18  1  0.33269772  0.42931755  0.56036540  1
  H  H19  1  0.83258558  0.98991091  0.43952203  1
  H  H20  1  0.59823740  0.28027842  0.48145347  1
  H  H21  1  0.09787946  0.76183240  0.51859123  1
  H  H22  1  0.83354950  0.04366741  0.57824265  1
  H  H23  1  0.33332168  0.62185682  0.42193905  1
  H  H24  1  0.79411031  0.94892478  0.75314559  1
  H  H25  1  0.29420759  0.70195383  0.24701360  1
  H  H26  1  0.35838731  0.80957990  0.74937015  1
  H  H27  1  0.85860832  0.55881637  0.25069313  1
  H  H28  1  0.33191473  0.89381006  0.57366992  1
  H  H29  1  0.83229271  0.46715191  0.42639078  1
  H  H30  1  0.57870109  0.75923300  0.47891301  1
  H  H31  1  0.07918688  0.23775172  0.52107395  1
  H  H32  1  0.84386075  0.53300526  0.56038410  1
  H  H33  1  0.34421659  0.09308714  0.43951873  1
  H  H34  1  0.86020555  0.43840056  0.73640384  1
  H  H35  1  0.36037440  0.17467711  0.26350247  1
  C  C36  1  0.54379080  0.13904825  0.75465675  1
  C  C37  1  0.04391019  0.89368728  0.24535857  1
  C  C38  1  0.41575525  0.27549018  0.70115240  1
  C  C39  1  0.91585266  0.97673362  0.29878707  1
  C  C40  1  0.43457522  0.32516738  0.60270916  1
  C  C41  1  0.93449050  0.92801028  0.39723915  1
  C  C42  1  0.58434934  0.24147359  0.55841377  1
  C  C43  1  0.08413378  0.79995036  0.44162330  1
  C  C44  1  0.71603220  0.10808530  0.61268905  1
  C  C45  1  0.21588318  0.72075278  0.38742546  1
  C  C46  1  0.69480674  0.05566709  0.71090831  1
  C  C47  1  0.19483853  0.76651671  0.28919039  1
  C  C48  1  0.61123775  0.61935227  0.75309508  1
  C  C49  1  0.11146606  0.37237181  0.24688956  1
  C  C50  1  0.46223596  0.74701033  0.70785307  1
  C  C51  1  0.96250591  0.45471146  0.29217694  1
  C  C52  1  0.44878330  0.79543083  0.60923568  1
  C  C53  1  0.94914453  0.40440153  0.39079501  1
  C  C54  1  0.58709880  0.71938600  0.55607860  1
  C  C55  1  0.08750505  0.27515655  0.44390732  1
  C  C56  1  0.73638457  0.59221666  0.60181180  1
  C  C57  1  0.23672501  0.19377343  0.39812814  1
  C  C58  1  0.74740861  0.54063482  0.70058025  1
  C  C59  1  0.24765523  0.24107139  0.29935955  1
  O  O60  1  0.40206472  0.19906631  0.91881807  1
  O  O61  1  0.90215734  0.11787574  0.08119326  1
  O  O62  1  0.37320122  0.93809036  0.88453034  1
  O  O63  1  0.87329920  0.82261375  0.11546035  1
  O  O64  1  0.70613790  0.98731111  0.92665421  1
  O  O65  1  0.20620712  0.91394243  0.07335710  1
  O  O66  1  0.06994710  0.77797801  0.95437700  1
  O  O67  1  0.56998254  0.73235681  0.04559672  1
  O  O68  1  0.01328553  0.13840972  0.84616138  1
  O  O69  1  0.51336084  0.98449109  0.15384655  1
  O  O70  1  0.12822481  0.52533244  0.84833322  1
  O  O71  1  0.62827099  0.37376970  0.15162702  1
  O  O72  1  0.73763549  0.39185397  0.91892486  1
  O  O73  1  0.23774403  0.31082325  0.08105164  1
  O  O74  1  0.43281055  0.59899309  0.92236837  1
  O  O75  1  0.93288184  0.52135460  0.07761890  1
  O  O76  1  0.76784703  0.68607140  0.88821192  1
  O  O77  1  0.26787542  0.57433420  0.11179453  1
