# generated using pymatgen
data_Li3CuP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15523800
_cell_length_b   7.87236206
_cell_length_c   9.01740670
_cell_angle_alpha   109.91848089
_cell_angle_beta   92.30109569
_cell_angle_gamma   108.74591994
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3CuP2O7
_chemical_formula_sum   'Li6 Cu2 P4 O14'
_cell_volume   321.18232192
_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  0.06071400  0.86394600  0.54606200  1
  Li  Li1  1  0.65767100  0.13334100  0.97407300  1
  Li  Li2  1  0.01456600  0.18655300  0.80170400  1
  Li  Li3  1  0.98543400  0.81344700  0.19829600  1
  Li  Li4  1  0.34232900  0.86665900  0.02592700  1
  Li  Li5  1  0.93928600  0.13605400  0.45393800  1
  Cu  Cu6  1  0.00000000  0.50000000  0.50000000  1
  Cu  Cu7  1  0.00000000  0.50000000  0.00000000  1
  P  P8  1  0.74663800  0.71743100  0.82010600  1
  P  P9  1  0.53330300  0.28718000  0.68033200  1
  P  P10  1  0.46669700  0.71282000  0.31966800  1
  P  P11  1  0.25336200  0.28256900  0.17989400  1
  O  O12  1  0.93638900  0.72647500  0.96442800  1
  O  O13  1  0.59251900  0.85706700  0.87785100  1
  O  O14  1  0.90045100  0.73730500  0.68332400  1
  O  O15  1  0.67554100  0.25375900  0.81616600  1
  O  O16  1  0.50794900  0.49973700  0.75630200  1
  O  O17  1  0.29837200  0.72091100  0.45573600  1
  O  O18  1  0.22507000  0.15174200  0.62985900  1
  O  O19  1  0.77493000  0.84825800  0.37014100  1
  O  O20  1  0.70162800  0.27908900  0.54426400  1
  O  O21  1  0.49205100  0.50026300  0.24369800  1
  O  O22  1  0.32445900  0.74624100  0.18383400  1
  O  O23  1  0.09954900  0.26269500  0.31667600  1
  O  O24  1  0.40748100  0.14293300  0.12214900  1
  O  O25  1  0.06361100  0.27352500  0.03557200  1
