data_[Na4Li2Fe2P2C2O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Fe  1.8300  1.4000  0.8525
  P  2.1900  1.0000  0.5500
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1607]
_cell_length_b [6.6549]
_cell_length_c [8.8608]
_cell_angle_alpha [89.0215]
_cell_angle_beta [87.9523]
_cell_angle_gamma [89.8605]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2LiFePCO7]
_chemical_formula_sum '[Na4 Li2 Fe2 P2 C2 O14]'
_cell_volume [304.0746]
_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  0.2525  0.0003  0.2605  1
  Na  Na1  1  0.7496  0.0032  0.7397  1
  Na  Na2  1  0.7502  0.4952  0.7397  1
  Na  Na3  1  0.7595  0.7387  0.0828  1
  Li  Li4  1  0.2354  0.5225  0.2806  1
  Li  Li5  1  0.2493  0.2637  0.9115  1
  Fe  Fe6  1  0.2214  0.7477  0.6491  1
  Fe  Fe7  1  0.7865  0.2552  0.3486  1
  P  P8  1  0.2990  0.2536  0.5871  1
  P  P9  1  0.7132  0.7465  0.4106  1
  C  C10  1  0.2710  0.7399  0.9480  1
  C  C11  1  0.7133  0.2529  0.0515  1
  O  O12  1  0.0485  0.7456  0.8826  1
  O  O13  1  0.1725  0.2691  0.4312  1
  O  O14  1  0.2132  0.0612  0.6786  1
  O  O15  1  0.2193  0.4318  0.6927  1
  O  O16  1  0.2822  0.7274  0.0938  1
  O  O17  1  0.4112  0.7250  0.4295  1
  O  O18  1  0.4820  0.7473  0.8628  1
  O  O19  1  0.5343  0.2656  0.1592  1
  O  O20  1  0.5994  0.2520  0.5630  1
  O  O21  1  0.6423  0.2457  0.9129  1
  O  O22  1  0.7779  0.9407  0.3154  1
  O  O23  1  0.8255  0.5684  0.3161  1
  O  O24  1  0.8334  0.7521  0.5674  1
  O  O25  1  0.9574  0.2486  0.0849  1
]