# generated using pymatgen
data_Li2CrP4(H2O3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.58597300
_cell_length_b   8.05978900
_cell_length_c   8.93652334
_cell_angle_alpha   65.22188788
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CrP4(H2O3)6
_chemical_formula_sum   'Li4 Cr2 P8 H24 O36'
_cell_volume   757.67124284
_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
  Li  Li0  1  0.75000000  0.98133700  0.56951500  1
  Li  Li1  1  0.25000000  0.75349800  0.90927400  1
  Li  Li2  1  0.75000000  0.24650200  0.09072600  1
  Li  Li3  1  0.25000000  0.01866300  0.43048500  1
  Cr  Cr4  1  0.75000000  0.52930500  0.73727600  1
  Cr  Cr5  1  0.25000000  0.47069500  0.26272400  1
  P  P6  1  0.48497300  0.71229100  0.64327100  1
  P  P7  1  0.01502700  0.71229100  0.64327100  1
  P  P8  1  0.50199200  0.69600900  0.16253200  1
  P  P9  1  0.99800800  0.69600900  0.16253200  1
  P  P10  1  0.49800800  0.30399100  0.83746800  1
  P  P11  1  0.00199200  0.30399100  0.83746800  1
  P  P12  1  0.98497300  0.28770900  0.35672900  1
  P  P13  1  0.51502700  0.28770900  0.35672900  1
  H  H14  1  0.81686600  0.94116300  0.86848500  1
  H  H15  1  0.68313400  0.94116300  0.86848500  1
  H  H16  1  0.49017000  0.75113500  0.87217200  1
  H  H17  1  0.00983000  0.75113500  0.87217200  1
  H  H18  1  0.81844700  0.60871800  0.98775200  1
  H  H19  1  0.68155300  0.60871800  0.98775200  1
  H  H20  1  0.81791400  0.91235700  0.28440300  1
  H  H21  1  0.68208600  0.91235700  0.28440300  1
  H  H22  1  0.01664900  0.82784700  0.33524500  1
  H  H23  1  0.48335100  0.82784700  0.33524500  1
  H  H24  1  0.18315800  0.58106200  0.49300400  1
  H  H25  1  0.31684200  0.58106200  0.49300400  1
  H  H26  1  0.81684200  0.41893800  0.50699600  1
  H  H27  1  0.68315800  0.41893800  0.50699600  1
  H  H28  1  0.98335100  0.17215300  0.66475500  1
  H  H29  1  0.51664900  0.17215300  0.66475500  1
  H  H30  1  0.31791400  0.08764300  0.71559700  1
  H  H31  1  0.18208600  0.08764300  0.71559700  1
  H  H32  1  0.31844700  0.39128200  0.01224800  1
  H  H33  1  0.18155300  0.39128200  0.01224800  1
  H  H34  1  0.99017000  0.24886500  0.12782800  1
  H  H35  1  0.50983000  0.24886500  0.12782800  1
  H  H36  1  0.31686600  0.05883700  0.13151500  1
  H  H37  1  0.18313400  0.05883700  0.13151500  1
  O  O38  1  0.06988000  0.75154700  0.78696800  1
  O  O39  1  0.43012000  0.75154700  0.78696800  1
  O  O40  1  0.75000000  0.98451400  0.28681400  1
  O  O41  1  0.25000000  0.01552400  0.20471200  1
  O  O42  1  0.41462800  0.80906600  0.48750900  1
  O  O43  1  0.08537200  0.80906600  0.48750900  1
  O  O44  1  0.88557000  0.73999400  0.63455300  1
  O  O45  1  0.61443000  0.73999400  0.63455300  1
  O  O46  1  0.75000000  0.54281700  0.96983600  1
  O  O47  1  0.96533000  0.83576000  0.23678400  1
  O  O48  1  0.53467000  0.83576000  0.23678400  1
  O  O49  1  0.45591400  0.49662700  0.69203500  1
  O  O50  1  0.04408600  0.49662700  0.69203500  1
  O  O51  1  0.92394900  0.73650100  0.00991000  1
  O  O52  1  0.57605100  0.73650100  0.00991000  1
  O  O53  1  0.37437900  0.68879200  0.13405700  1
  O  O54  1  0.12562100  0.68879200  0.13405700  1
  O  O55  1  0.25000000  0.51379500  0.47901700  1
  O  O56  1  0.75000000  0.48620500  0.52098300  1
  O  O57  1  0.62562100  0.31120800  0.86594300  1
  O  O58  1  0.87437900  0.31120800  0.86594300  1
  O  O59  1  0.42394900  0.26349900  0.99009000  1
  O  O60  1  0.07605100  0.26349900  0.99009000  1
  O  O61  1  0.95591400  0.50337300  0.30796500  1
  O  O62  1  0.54408600  0.50337300  0.30796500  1
  O  O63  1  0.46533000  0.16424000  0.76321600  1
  O  O64  1  0.03467000  0.16424000  0.76321600  1
  O  O65  1  0.25000000  0.45718300  0.03016400  1
  O  O66  1  0.38557000  0.26000600  0.36544700  1
  O  O67  1  0.11443000  0.26000600  0.36544700  1
  O  O68  1  0.91462800  0.19093400  0.51249100  1
  O  O69  1  0.58537200  0.19093400  0.51249100  1
  O  O70  1  0.75000000  0.98447600  0.79528800  1
  O  O71  1  0.25000000  0.01548600  0.71318600  1
  O  O72  1  0.93012000  0.24845300  0.21303200  1
  O  O73  1  0.56988000  0.24845300  0.21303200  1
