# generated using pymatgen
data_Na3LiCuPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43569300
_cell_length_b   5.15926400
_cell_length_c   9.87895231
_cell_angle_alpha   89.55773316
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3LiCuPCO7
_chemical_formula_sum   'Na6 Li2 Cu2 P2 C2 O14'
_cell_volume   328.00542038
_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  0.75000000  0.22877800  0.91123400  1
  Na  Na1  1  0.01666600  0.75652900  0.75996600  1
  Na  Na2  1  0.48333400  0.75652900  0.75996600  1
  Na  Na3  1  0.51666600  0.24347100  0.24003400  1
  Na  Na4  1  0.98333400  0.24347100  0.24003400  1
  Na  Na5  1  0.25000000  0.77122200  0.08876600  1
  Li  Li6  1  0.00000000  0.00000000  0.50000000  1
  Li  Li7  1  0.50000000  0.00000000  0.50000000  1
  Cu  Cu8  1  0.25000000  0.28001300  0.66532600  1
  Cu  Cu9  1  0.75000000  0.71998700  0.33467400  1
  P  P10  1  0.75000000  0.34364100  0.59216500  1
  P  P11  1  0.25000000  0.65635900  0.40783500  1
  C  C12  1  0.25000000  0.26790200  0.95363900  1
  C  C13  1  0.75000000  0.73209800  0.04636100  1
  O  O14  1  0.75000000  0.73358000  0.91379600  1
  O  O15  1  0.25000000  0.48954900  0.88916200  1
  O  O16  1  0.25000000  0.04947400  0.88914200  1
  O  O17  1  0.94401300  0.22924400  0.66947400  1
  O  O18  1  0.55598700  0.22924400  0.66947400  1
  O  O19  1  0.25000000  0.77829400  0.55317400  1
  O  O20  1  0.75000000  0.64217700  0.59244400  1
  O  O21  1  0.25000000  0.35782300  0.40755600  1
  O  O22  1  0.75000000  0.22170600  0.44682600  1
  O  O23  1  0.05598700  0.77075600  0.33052600  1
  O  O24  1  0.44401300  0.77075600  0.33052600  1
  O  O25  1  0.75000000  0.95052600  0.11085800  1
  O  O26  1  0.75000000  0.51045100  0.11083800  1
  O  O27  1  0.25000000  0.26642000  0.08620400  1
