# generated using pymatgen
data_Li2Cu3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29779000
_cell_length_b   6.25954246
_cell_length_c   16.44136365
_cell_angle_alpha   92.91286738
_cell_angle_beta   95.87607403
_cell_angle_gamma   108.48736611
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Cu3(P2O7)2
_chemical_formula_sum   'Li4 Cu6 P8 O28'
_cell_volume   512.36215730
_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  0.96315100  0.23386000  0.01501400  1
  Li  Li1  1  0.52711900  0.72458900  0.87880600  1
  Li  Li2  1  0.47288100  0.27541100  0.12119400  1
  Li  Li3  1  0.03684900  0.76614000  0.98498600  1
  Cu  Cu4  1  0.23332900  0.27910100  0.41374600  1
  Cu  Cu5  1  0.12533700  0.63177700  0.17646600  1
  Cu  Cu6  1  0.41893700  0.97037500  0.66700500  1
  Cu  Cu7  1  0.58106300  0.02962500  0.33299500  1
  Cu  Cu8  1  0.87466300  0.36822300  0.82353400  1
  Cu  Cu9  1  0.76667100  0.72089900  0.58625400  1
  P  P10  1  0.00074500  0.09313400  0.20024100  1
  P  P11  1  0.31100100  0.42992400  0.68261900  1
  P  P12  1  0.39702300  0.24255300  0.93025200  1
  P  P13  1  0.15282800  0.76906700  0.45333000  1
  P  P14  1  0.84717200  0.23093300  0.54667000  1
  P  P15  1  0.60297700  0.75744700  0.06974800  1
  P  P16  1  0.68899900  0.57007600  0.31738100  1
  P  P17  1  0.99925500  0.90686600  0.79975900  1
  O  O18  1  0.80334000  0.04158700  0.80410500  1
  O  O19  1  0.70423000  0.30958900  0.93004000  1
  O  O20  1  0.48904700  0.28574700  0.70647800  1
  O  O21  1  0.12935300  0.31372600  0.15897800  1
  O  O22  1  0.49048400  0.66859200  0.66376000  1
  O  O23  1  0.29304100  0.59304100  0.44892400  1
  O  O24  1  0.27897200  0.02943100  0.85859000  1
  O  O25  1  0.92108100  0.12404300  0.28539200  1
  O  O26  1  0.31176900  0.98428100  0.41381600  1
  O  O27  1  0.29722400  0.13818000  0.00825000  1
  O  O28  1  0.14271100  0.31621800  0.59612400  1
  O  O29  1  0.12979400  0.45964900  0.74398600  1
  O  O30  1  0.89550400  0.16684700  0.45947600  1
  O  O31  1  0.71380700  0.56864400  0.09143600  1
  O  O32  1  0.28619300  0.43135600  0.90856400  1
  O  O33  1  0.10449600  0.83315300  0.54052400  1
  O  O34  1  0.87020600  0.54035100  0.25601400  1
  O  O35  1  0.85728900  0.68378200  0.40387600  1
  O  O36  1  0.70277600  0.86182000  0.99175000  1
  O  O37  1  0.68823100  0.01571900  0.58618400  1
  O  O38  1  0.07891900  0.87595700  0.71460800  1
  O  O39  1  0.72102800  0.97056900  0.14141000  1
  O  O40  1  0.70695900  0.40695900  0.55107600  1
  O  O41  1  0.50951600  0.33140800  0.33624000  1
  O  O42  1  0.87064700  0.68627400  0.84102200  1
  O  O43  1  0.51095300  0.71425300  0.29352200  1
  O  O44  1  0.29577000  0.69041100  0.06996000  1
  O  O45  1  0.19666000  0.95841300  0.19589500  1
