# generated using pymatgen
data_LiCrP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.09689766
_cell_length_b   6.87815059
_cell_length_c   9.57867586
_cell_angle_alpha   68.80575489
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrP2O7
_chemical_formula_sum   'Li4 Cr4 P8 O28'
_cell_volume   497.36989617
_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  0.86242414  0.67080271  0.24797516  1
  Li  Li1  1  0.13757586  0.32919729  0.75202484  1
  Li  Li2  1  0.36242414  0.32919729  0.25202484  1
  Li  Li3  1  0.63757586  0.67080271  0.74797516  1
  Cr  Cr4  1  0.49851214  0.27770626  0.75180253  1
  Cr  Cr5  1  0.00148786  0.27770626  0.25180253  1
  Cr  Cr6  1  0.99851214  0.72229374  0.74819747  1
  Cr  Cr7  1  0.50148786  0.72229374  0.24819747  1
  P  P8  1  0.68379724  0.29876331  0.44657351  1
  P  P9  1  0.31620276  0.70123669  0.55342649  1
  P  P10  1  0.81620276  0.29876331  0.94657351  1
  P  P11  1  0.28567738  0.11125255  0.05816622  1
  P  P12  1  0.78567738  0.88874745  0.44183378  1
  P  P13  1  0.71432262  0.88874745  0.94183378  1
  P  P14  1  0.18379724  0.70123669  0.05342649  1
  P  P15  1  0.21432262  0.11125255  0.55816622  1
  O  O16  1  0.33640642  0.93330648  0.55147293  1
  O  O17  1  0.83640642  0.06669352  0.94852707  1
  O  O18  1  0.31085644  0.22918266  0.63690750  1
  O  O19  1  0.05898836  0.01621747  0.64353683  1
  O  O20  1  0.94101164  0.98378253  0.35646317  1
  O  O21  1  0.68914356  0.77081734  0.36309250  1
  O  O22  1  0.16359358  0.93330648  0.05147293  1
  O  O23  1  0.55898836  0.98378253  0.85646317  1
  O  O24  1  0.32807880  0.70697040  0.39565098  1
  O  O25  1  0.68112052  0.74632779  0.10187942  1
  O  O26  1  0.81085644  0.77081734  0.86309250  1
  O  O27  1  0.14862821  0.62492387  0.62378862  1
  O  O28  1  0.35137179  0.62492387  0.12378862  1
  O  O29  1  0.17192120  0.70697040  0.89565098  1
  O  O30  1  0.81887948  0.74632779  0.60187942  1
  O  O31  1  0.67192120  0.29302960  0.60434902  1
  O  O32  1  0.04292311  0.58470530  0.15427820  1
  O  O33  1  0.85137179  0.37507613  0.37621138  1
  O  O34  1  0.44101164  0.01621747  0.14353683  1
  O  O35  1  0.95707689  0.41529470  0.84572180  1
  O  O36  1  0.45707689  0.58470530  0.65427820  1
  O  O37  1  0.18112052  0.25367221  0.39812058  1
  O  O38  1  0.82807880  0.29302960  0.10434902  1
  O  O39  1  0.64862821  0.37507613  0.87621138  1
  O  O40  1  0.66359358  0.06669352  0.44852707  1
  O  O41  1  0.18914356  0.22918266  0.13690750  1
  O  O42  1  0.31887948  0.25367221  0.89812058  1
  O  O43  1  0.54292311  0.41529470  0.34572180  1
