# generated using pymatgen
data_Na3LiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39316314
_cell_length_b   5.39316314
_cell_length_c   12.42122000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.93748307
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3LiP2O7
_chemical_formula_sum   'Na6 Li2 P4 O14'
_cell_volume   319.18165747
_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
  Na  Na0  1  0.34991000  0.34991000  0.50000000  1
  Na  Na1  1  0.65009000  0.65009000  0.00000000  1
  Na  Na2  1  0.04736100  0.70236400  0.61878700  1
  Na  Na3  1  0.70236400  0.04736100  0.38121300  1
  Na  Na4  1  0.95263900  0.29763600  0.11878700  1
  Na  Na5  1  0.29763600  0.95263900  0.88121300  1
  Li  Li6  1  0.53732000  0.46268000  0.75000000  1
  Li  Li7  1  0.46268000  0.53732000  0.25000000  1
  P  P8  1  0.69036500  0.02837200  0.64851800  1
  P  P9  1  0.02837200  0.69036500  0.35148200  1
  P  P10  1  0.30963500  0.97162800  0.14851800  1
  P  P11  1  0.97162800  0.30963500  0.85148200  1
  O  O12  1  0.58525500  0.71356900  0.62828600  1
  O  O13  1  0.71356900  0.58525500  0.37171400  1
  O  O14  1  0.41474500  0.28643100  0.12828600  1
  O  O15  1  0.28643100  0.41474500  0.87171400  1
  O  O16  1  0.86901500  0.21802800  0.55694300  1
  O  O17  1  0.21802800  0.86901500  0.44305700  1
  O  O18  1  0.13098500  0.78197200  0.05694300  1
  O  O19  1  0.78197200  0.13098500  0.94305700  1
  O  O20  1  0.45591600  0.09417100  0.68602000  1
  O  O21  1  0.09417100  0.45591600  0.31398000  1
  O  O22  1  0.54408400  0.90582900  0.18602000  1
  O  O23  1  0.90582900  0.54408400  0.81398000  1
  O  O24  1  0.90696200  0.09303800  0.75000000  1
  O  O25  1  0.09303800  0.90696200  0.25000000  1
