# generated using pymatgen
data_LiCrP3H8O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.53608500
_cell_length_b   8.67382900
_cell_length_c   9.68026583
_cell_angle_alpha   102.74609416
_cell_angle_beta   89.43666103
_cell_angle_gamma   107.48263221
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrP3H8O13
_chemical_formula_sum   'Li2 Cr2 P6 H16 O26'
_cell_volume   587.58094293
_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  0.28807400  0.60565000  0.69141200  1
  Li  Li1  1  0.71192600  0.39435000  0.30858800  1
  Cr  Cr2  1  0.00000000  0.50000000  0.00000000  1
  Cr  Cr3  1  0.50000000  0.00000000  0.50000000  1
  P  P4  1  0.28510400  0.27606400  0.94149100  1
  P  P5  1  0.79815400  0.64218800  0.75057100  1
  P  P6  1  0.98801400  0.00087800  0.77971000  1
  P  P7  1  0.01198600  0.99912200  0.22029000  1
  P  P8  1  0.20184600  0.35781200  0.24942900  1
  P  P9  1  0.71489600  0.72393600  0.05850900  1
  H  H10  1  0.79675400  0.18446500  0.95066500  1
  H  H11  1  0.66123300  0.29491800  0.96661800  1
  H  H12  1  0.46270800  0.08993300  0.77190000  1
  H  H13  1  0.81268000  0.31630400  0.62835000  1
  H  H14  1  0.61174800  0.99487300  0.75284400  1
  H  H15  1  0.24345000  0.13554000  0.58335500  1
  H  H16  1  0.88539400  0.17219500  0.54315200  1
  H  H17  1  0.34565900  0.24568500  0.47312200  1
  H  H18  1  0.65434100  0.75431500  0.52687800  1
  H  H19  1  0.11460600  0.82780500  0.45684800  1
  H  H20  1  0.75655000  0.86446000  0.41664500  1
  H  H21  1  0.38825200  0.00512700  0.24715600  1
  H  H22  1  0.18732000  0.68369600  0.37165000  1
  H  H23  1  0.53729200  0.91006700  0.22810000  1
  H  H24  1  0.33876700  0.70508200  0.03338200  1
  H  H25  1  0.20324600  0.81553500  0.04933500  1
  O  O26  1  0.77929800  0.28952300  0.01024600  1
  O  O27  1  0.14763700  0.08679700  0.90929300  1
  O  O28  1  0.18309300  0.38440600  0.89624000  1
  O  O29  1  0.46803400  0.27725400  0.87990900  1
  O  O30  1  0.80918500  0.02920400  0.82966900  1
  O  O31  1  0.67904400  0.68160800  0.88865900  1
  O  O32  1  0.88493500  0.50866200  0.76031400  1
  O  O33  1  0.05727800  0.04606300  0.64458100  1
  O  O34  1  0.97630600  0.80915300  0.77233900  1
  O  O35  1  0.48493500  0.98745300  0.71409800  1
  O  O36  1  0.66953000  0.62153400  0.62618500  1
  O  O37  1  0.79155200  0.22949600  0.53931500  1
  O  O38  1  0.36489100  0.17933000  0.54019400  1
  O  O39  1  0.63510900  0.82067000  0.45980600  1
  O  O40  1  0.20844800  0.77050400  0.46068500  1
  O  O41  1  0.33047000  0.37846600  0.37381500  1
  O  O42  1  0.51506500  0.01254700  0.28590200  1
  O  O43  1  0.02369400  0.19084700  0.22766100  1
  O  O44  1  0.94272200  0.95393700  0.35541900  1
  O  O45  1  0.11506500  0.49133800  0.23968600  1
  O  O46  1  0.32095600  0.31839200  0.11134100  1
  O  O47  1  0.19081500  0.97079600  0.17033100  1
  O  O48  1  0.53196600  0.72274600  0.12009100  1
  O  O49  1  0.81690700  0.61559400  0.10376000  1
  O  O50  1  0.85236300  0.91320300  0.09070700  1
  O  O51  1  0.22070200  0.71047700  0.98975400  1
