# generated using pymatgen
data_Li2CuP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.30895600
_cell_length_b   6.27060938
_cell_length_c   8.89029144
_cell_angle_alpha   110.28901017
_cell_angle_beta   91.82641223
_cell_angle_gamma   105.50226179
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuP2O7
_chemical_formula_sum   'Li4 Cu2 P4 O14'
_cell_volume   264.94737479
_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  0.08115300  0.75021100  0.01317200  1
  Li  Li1  1  0.32816300  0.46343300  0.75294700  1
  Li  Li2  1  0.67183700  0.53656700  0.24705300  1
  Li  Li3  1  0.91884700  0.24978900  0.98682800  1
  Cu  Cu4  1  0.11437800  0.22897500  0.37821600  1
  Cu  Cu5  1  0.88562200  0.77102500  0.62178400  1
  P  P6  1  0.23223200  0.74955300  0.39061100  1
  P  P7  1  0.59183700  0.81238800  0.88480700  1
  P  P8  1  0.40816300  0.18761200  0.11519300  1
  P  P9  1  0.76776800  0.25044700  0.60938900  1
  O  O10  1  0.05915200  0.54826300  0.33036400  1
  O  O11  1  0.04451900  0.88678200  0.41490800  1
  O  O12  1  0.29735100  0.71263100  0.87290300  1
  O  O13  1  0.25999600  0.31782700  0.17567400  1
  O  O14  1  0.26352700  0.17297400  0.95045000  1
  O  O15  1  0.56140200  0.31547400  0.46569800  1
  O  O16  1  0.62832600  0.08330700  0.76551300  1
  O  O17  1  0.37167400  0.91669300  0.23448700  1
  O  O18  1  0.43859800  0.68452600  0.53430200  1
  O  O19  1  0.73647300  0.82702600  0.04955000  1
  O  O20  1  0.74000400  0.68217300  0.82432600  1
  O  O21  1  0.70264900  0.28736900  0.12709700  1
  O  O22  1  0.95548100  0.11321800  0.58509200  1
  O  O23  1  0.94084800  0.45173700  0.66963600  1
