# generated using pymatgen
data_LiCrP2H5O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77738500
_cell_length_b   7.76430800
_cell_length_c   15.11590900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrP2H5O9
_chemical_formula_sum   'Li4 Cr4 P8 H20 O36'
_cell_volume   795.42489777
_cell_formula_units_Z   4
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  0.75590300  0.75995200  0.05916300  1
  Li  Li1  1  0.25590300  0.25995200  0.44083700  1
  Li  Li2  1  0.74409700  0.75995200  0.55916300  1
  Li  Li3  1  0.24409700  0.25995200  0.94083700  1
  Cr  Cr4  1  0.06335000  0.24973400  0.18729100  1
  Cr  Cr5  1  0.56335000  0.74973400  0.31270900  1
  Cr  Cr6  1  0.43665000  0.24973400  0.68729100  1
  Cr  Cr7  1  0.93665000  0.74973400  0.81270900  1
  P  P8  1  0.37358900  0.93947000  0.13826500  1
  P  P9  1  0.36671700  0.56361600  0.13804600  1
  P  P10  1  0.87358900  0.43947000  0.36173500  1
  P  P11  1  0.86671700  0.06361600  0.36195400  1
  P  P12  1  0.12641100  0.93947000  0.63826500  1
  P  P13  1  0.13328300  0.56361600  0.63804600  1
  P  P14  1  0.62641100  0.43947000  0.86173500  1
  P  P15  1  0.63328300  0.06361600  0.86195400  1
  H  H16  1  0.50448000  0.50609900  0.00642500  1
  H  H17  1  0.71125200  0.34990800  0.08877700  1
  H  H18  1  0.70865300  0.14657700  0.08830200  1
  H  H19  1  0.90709100  0.85258200  0.21009400  1
  H  H20  1  0.90486800  0.64503000  0.20890800  1
  H  H21  1  0.40709100  0.35258200  0.28990600  1
  H  H22  1  0.40486800  0.14503000  0.29109200  1
  H  H23  1  0.21125200  0.84990800  0.41122300  1
  H  H24  1  0.20865300  0.64657700  0.41169800  1
  H  H25  1  0.00448000  0.00609900  0.49357500  1
  H  H26  1  0.99552000  0.50609900  0.50642500  1
  H  H27  1  0.78874800  0.34990800  0.58877700  1
  H  H28  1  0.79134700  0.14657700  0.58830200  1
  H  H29  1  0.59290900  0.85258200  0.71009400  1
  H  H30  1  0.59513200  0.64503000  0.70890800  1
  H  H31  1  0.09290900  0.35258200  0.78990600  1
  H  H32  1  0.09513200  0.14503000  0.79109200  1
  H  H33  1  0.28874800  0.84990800  0.91122300  1
  H  H34  1  0.29134700  0.64657700  0.91169800  1
  H  H35  1  0.49552000  0.00609900  0.99357500  1
  O  O36  1  0.55303300  0.95050300  0.07410300  1
  O  O37  1  0.55096400  0.55073400  0.07267200  1
  O  O38  1  0.79676300  0.24770200  0.08892300  1
  O  O39  1  0.27370800  0.75141500  0.11972100  1
  O  O40  1  0.21188200  0.43418100  0.11143300  1
  O  O41  1  0.21608700  0.06920400  0.11317200  1
  O  O42  1  0.84949900  0.75015500  0.18096400  1
  O  O43  1  0.43819100  0.94403100  0.23512600  1
  O  O44  1  0.44058700  0.55524600  0.23293700  1
  O  O45  1  0.93819100  0.44403100  0.26487400  1
  O  O46  1  0.94058700  0.05524600  0.26706300  1
  O  O47  1  0.34949900  0.25015500  0.31903600  1
  O  O48  1  0.71608700  0.56920400  0.38682800  1
  O  O49  1  0.71188200  0.93418100  0.38856700  1
  O  O50  1  0.77370800  0.25141500  0.38027900  1
  O  O51  1  0.29676300  0.74770200  0.41107700  1
  O  O52  1  0.05303300  0.45050300  0.42589700  1
  O  O53  1  0.05096400  0.05073400  0.42732800  1
  O  O54  1  0.94696700  0.95050300  0.57410300  1
  O  O55  1  0.94903600  0.55073400  0.57267200  1
  O  O56  1  0.70323700  0.24770200  0.58892300  1
  O  O57  1  0.22629200  0.75141500  0.61972100  1
  O  O58  1  0.28811800  0.43418100  0.61143300  1
  O  O59  1  0.28391300  0.06920400  0.61317200  1
  O  O60  1  0.65050100  0.75015500  0.68096400  1
  O  O61  1  0.06180900  0.94403100  0.73512600  1
  O  O62  1  0.05941300  0.55524600  0.73293700  1
  O  O63  1  0.56180900  0.44403100  0.76487400  1
  O  O64  1  0.55941300  0.05524600  0.76706300  1
  O  O65  1  0.15050100  0.25015500  0.81903600  1
  O  O66  1  0.78811800  0.93418100  0.88856700  1
  O  O67  1  0.78391300  0.56920400  0.88682800  1
  O  O68  1  0.72629200  0.25141500  0.88027900  1
  O  O69  1  0.20323700  0.74770200  0.91107700  1
  O  O70  1  0.44696700  0.45050300  0.92589700  1
  O  O71  1  0.44903600  0.05073400  0.92732800  1
