# generated using pymatgen
data_Li2CrP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09421300
_cell_length_b   8.56785800
_cell_length_c   14.45715251
_cell_angle_alpha   61.89222103
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CrP2O7
_chemical_formula_sum   'Li8 Cr4 P8 O28'
_cell_volume   556.58523675
_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  0.72433100  0.50045300  0.92108700  1
  Li  Li1  1  0.25660300  0.06378800  0.81469900  1
  Li  Li2  1  0.22433100  0.49954700  0.57891300  1
  Li  Li3  1  0.75660300  0.93621200  0.68530100  1
  Li  Li4  1  0.24339700  0.06378800  0.31469900  1
  Li  Li5  1  0.77566900  0.50045300  0.42108700  1
  Li  Li6  1  0.74339700  0.93621200  0.18530100  1
  Li  Li7  1  0.27566900  0.49954700  0.07891300  1
  Cr  Cr8  1  0.76082700  0.77848800  0.98010400  1
  Cr  Cr9  1  0.73917300  0.77848800  0.48010400  1
  Cr  Cr10  1  0.26082700  0.22151200  0.51989600  1
  Cr  Cr11  1  0.23917300  0.22151200  0.01989600  1
  P  P12  1  0.74885900  0.19579800  0.87567800  1
  P  P13  1  0.23903200  0.67734000  0.84982000  1
  P  P14  1  0.24885900  0.80420200  0.62432200  1
  P  P15  1  0.73903200  0.32266000  0.65018000  1
  P  P16  1  0.26096800  0.67734000  0.34982000  1
  P  P17  1  0.75114100  0.19579800  0.37567800  1
  P  P18  1  0.76096800  0.32266000  0.15018000  1
  P  P19  1  0.25114100  0.80420200  0.12432200  1
  O  O20  1  0.87035900  0.28271400  0.93664500  1
  O  O21  1  0.45409600  0.16808900  0.89265800  1
  O  O22  1  0.31711200  0.49306600  0.93841200  1
  O  O23  1  0.41535500  0.81992400  0.85344000  1
  O  O24  1  0.80841300  0.34169700  0.75383300  1
  O  O25  1  0.94483400  0.71544000  0.84718000  1
  O  O26  1  0.89539200  0.02992700  0.88796800  1
  O  O27  1  0.30841300  0.65830300  0.74616700  1
  O  O28  1  0.81711200  0.50693400  0.56158800  1
  O  O29  1  0.95409600  0.83191100  0.60734200  1
  O  O30  1  0.39539200  0.97007300  0.61203200  1
  O  O31  1  0.37035900  0.71728600  0.56335500  1
  O  O32  1  0.44483400  0.28456000  0.65282000  1
  O  O33  1  0.91535500  0.18007600  0.64656000  1
  O  O34  1  0.08464500  0.81992400  0.35344000  1
  O  O35  1  0.55516600  0.71544000  0.34718000  1
  O  O36  1  0.62964100  0.28271400  0.43664500  1
  O  O37  1  0.60460800  0.02992700  0.38796800  1
  O  O38  1  0.04590400  0.16808900  0.39265800  1
  O  O39  1  0.18288800  0.49306600  0.43841200  1
  O  O40  1  0.69158700  0.34169700  0.25383300  1
  O  O41  1  0.10460800  0.97007300  0.11203200  1
  O  O42  1  0.05516600  0.28456000  0.15282000  1
  O  O43  1  0.19158700  0.65830300  0.24616700  1
  O  O44  1  0.58464500  0.18007600  0.14656000  1
  O  O45  1  0.68288800  0.50693400  0.06158800  1
  O  O46  1  0.54590400  0.83191100  0.10734200  1
  O  O47  1  0.12964100  0.71728600  0.06335500  1
