# generated using pymatgen
data_Li2CrP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.55107256
_cell_length_b   7.55107256
_cell_length_c   11.23200985
_cell_angle_alpha   89.57150510
_cell_angle_beta   89.57150510
_cell_angle_gamma   116.76276857
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CrP2O7
_chemical_formula_sum   'Li8 Cr4 P8 O28'
_cell_volume   571.77214293
_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  0.71555600  0.28444400  0.25000000  1
  Li  Li1  1  0.70679400  0.28004900  0.00083600  1
  Li  Li2  1  0.29320600  0.71995100  0.99916400  1
  Li  Li3  1  0.29044200  0.70955800  0.25000000  1
  Li  Li4  1  0.28444400  0.71555600  0.75000000  1
  Li  Li5  1  0.70955800  0.29044200  0.75000000  1
  Li  Li6  1  0.71995100  0.29320600  0.49916400  1
  Li  Li7  1  0.28004900  0.70679400  0.50083600  1
  Cr  Cr8  1  0.29837500  0.29632700  0.62007900  1
  Cr  Cr9  1  0.29632700  0.29837500  0.12007900  1
  Cr  Cr10  1  0.70367300  0.70162500  0.87992100  1
  Cr  Cr11  1  0.70162500  0.70367300  0.37992100  1
  P  P12  1  0.91614300  0.69973200  0.62703500  1
  P  P13  1  0.91160100  0.68351300  0.12954200  1
  P  P14  1  0.30026800  0.08385700  0.87296500  1
  P  P15  1  0.68351300  0.91160100  0.62954200  1
  P  P16  1  0.69973200  0.91614300  0.12703500  1
  P  P17  1  0.31648700  0.08839900  0.37045800  1
  P  P18  1  0.08839900  0.31648700  0.87045800  1
  P  P19  1  0.08385700  0.30026800  0.37296500  1
  O  O20  1  0.41318100  0.19204600  0.98562500  1
  O  O21  1  0.90959600  0.90038400  0.12611300  1
  O  O22  1  0.41380500  0.19623200  0.75938800  1
  O  O23  1  0.27327400  0.87375000  0.37426500  1
  O  O24  1  0.57155400  0.79049600  0.51995000  1
  O  O25  1  0.90038400  0.90959600  0.62611300  1
  O  O26  1  0.80376800  0.58619500  0.74061200  1
  O  O27  1  0.58681900  0.80795400  0.01437500  1
  O  O28  1  0.42844600  0.20950400  0.48005000  1
  O  O29  1  0.09040400  0.09961600  0.87388700  1
  O  O30  1  0.13443300  0.75662000  0.62542900  1
  O  O31  1  0.75662000  0.13443300  0.12542900  1
  O  O32  1  0.80341900  0.57982900  0.24639300  1
  O  O33  1  0.24338000  0.86556700  0.87457100  1
  O  O34  1  0.80795400  0.58681900  0.51437500  1
  O  O35  1  0.20950400  0.42844600  0.98005000  1
  O  O36  1  0.79049600  0.57155400  0.01995000  1
  O  O37  1  0.72672600  0.12625000  0.62573500  1
  O  O38  1  0.58619500  0.80376800  0.24061200  1
  O  O39  1  0.19658100  0.42017100  0.75360700  1
  O  O40  1  0.42017100  0.19658100  0.25360700  1
  O  O41  1  0.87375000  0.27327400  0.87426500  1
  O  O42  1  0.19204600  0.41318100  0.48562500  1
  O  O43  1  0.57982900  0.80341900  0.74639300  1
  O  O44  1  0.19623200  0.41380500  0.25938800  1
  O  O45  1  0.12625000  0.72672600  0.12573500  1
  O  O46  1  0.86556700  0.24338000  0.37457100  1
  O  O47  1  0.09961600  0.09040400  0.37388700  1
