# generated using pymatgen
data_Li2CrP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54740919
_cell_length_b   9.42618659
_cell_length_c   9.38066859
_cell_angle_alpha   73.23398092
_cell_angle_beta   111.25580838
_cell_angle_gamma   110.78229191
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CrP2O7
_chemical_formula_sum   'Li8 Cr4 P8 O28'
_cell_volume   571.63597141
_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  0.71311900  0.89338600  0.39341900  1
  Li  Li1  1  0.71313600  0.39339900  0.89344100  1
  Li  Li2  1  0.28686200  0.10666300  0.60648900  1
  Li  Li3  1  0.28681700  0.60659600  0.10649000  1
  Li  Li4  1  0.71387500  0.14306500  0.14318700  1
  Li  Li5  1  0.71389000  0.64306200  0.64312100  1
  Li  Li6  1  0.28614900  0.35692800  0.35672900  1
  Li  Li7  1  0.28610600  0.85697100  0.85688100  1
  Cr  Cr8  1  0.29964000  0.27110800  0.02853500  1
  Cr  Cr9  1  0.70042900  0.72875400  0.97155100  1
  Cr  Cr10  1  0.30004600  0.77121000  0.52880700  1
  Cr  Cr11  1  0.70064500  0.22874000  0.47165800  1
  P  P12  1  0.91375000  0.97295100  0.71820100  1
  P  P13  1  0.91376600  0.47302000  0.21812600  1
  P  P14  1  0.30871300  0.91560600  0.17051000  1
  P  P15  1  0.30874400  0.41564600  0.67042600  1
  P  P16  1  0.69116800  0.08432800  0.82953600  1
  P  P17  1  0.69121300  0.58434400  0.32952800  1
  P  P18  1  0.08629600  0.02702600  0.28188000  1
  P  P19  1  0.08626900  0.52702700  0.78187400  1
  O  O20  1  0.90425600  0.07802500  0.82624200  1
  O  O21  1  0.90425200  0.57803500  0.32619300  1
  O  O22  1  0.09571700  0.92199500  0.17376900  1
  O  O23  1  0.09570100  0.42205800  0.67366200  1
  O  O24  1  0.42073700  0.08420500  0.11523200  1
  O  O25  1  0.42084000  0.58425900  0.61525400  1
  O  O26  1  0.57908700  0.91575300  0.88473800  1
  O  O27  1  0.57930100  0.41572900  0.38480400  1
  O  O28  1  0.80040000  0.80505200  0.77416500  1
  O  O29  1  0.80053300  0.30508800  0.27415000  1
  O  O30  1  0.19945900  0.19493800  0.22575600  1
  O  O31  1  0.19954700  0.69493100  0.72594400  1
  O  O32  1  0.41773900  0.85589400  0.34041600  1
  O  O33  1  0.41775400  0.35589200  0.84030000  1
  O  O34  1  0.80340700  0.03318700  0.54889400  1
  O  O35  1  0.80324100  0.53323500  0.04882700  1
  O  O36  1  0.58227800  0.14415100  0.65959700  1
  O  O37  1  0.58210500  0.64405700  0.15963300  1
  O  O38  1  0.19671000  0.96682600  0.45114000  1
  O  O39  1  0.19657800  0.46674100  0.95110200  1
  O  O40  1  0.25841400  0.30927700  0.56005500  1
  O  O41  1  0.25842800  0.80916500  0.06020400  1
  O  O42  1  0.13049500  0.99631300  0.74504200  1
  O  O43  1  0.13044000  0.49627600  0.24497700  1
  O  O44  1  0.74150900  0.69080900  0.43980600  1
  O  O45  1  0.74150500  0.19081400  0.93982300  1
  O  O46  1  0.86949800  0.00374900  0.25496300  1
  O  O47  1  0.86943500  0.50371600  0.75492200  1
