data_[Na10Fe4P4C4O28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [5.2676]
_cell_length_b [11.0869]
_cell_length_c [11.3034]
_cell_angle_alpha [73.4325]
_cell_angle_beta [89.4118]
_cell_angle_gamma [89.3960]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na5Fe2P2(CO7)2]
_chemical_formula_sum '[Na10 Fe4 P4 C4 O28]'
_cell_volume [632.6809]
_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  0.2306  0.0655  0.8447  1
  Na  Na1  1  0.2317  0.5753  0.3373  1
  Na  Na2  1  0.2492  0.6308  0.6378  1
  Na  Na3  1  0.2507  0.3888  0.8788  1
  Na  Na4  1  0.2517  0.8761  0.3808  1
  Na  Na5  1  0.2521  0.1261  0.1393  1
  Na  Na6  1  0.7492  0.6209  0.1201  1
  Na  Na7  1  0.7538  0.9104  0.1606  1
  Na  Na8  1  0.7565  0.1084  0.6246  1
  Na  Na9  1  0.7566  0.4221  0.6488  1
  Fe  Fe10  1  0.2150  0.7104  0.9412  1
  Fe  Fe11  1  0.2181  0.2044  0.4474  1
  Fe  Fe12  1  0.7758  0.7989  0.5543  1
  Fe  Fe13  1  0.7805  0.3032  0.0522  1
  P  P14  1  0.2847  0.4143  0.1666  1
  P  P15  1  0.2954  0.9208  0.6583  1
  P  P16  1  0.7143  0.5799  0.8382  1
  P  P17  1  0.7179  0.0864  0.3335  1
  C  C18  1  0.2693  0.8426  0.0990  1
  C  C19  1  0.2699  0.3387  0.5954  1
  C  C20  1  0.7260  0.6568  0.4055  1
  C  C21  1  0.7275  0.1648  0.9075  1
  O  O22  1  0.0471  0.8137  0.0669  1
  O  O23  1  0.0471  0.3106  0.5612  1
  O  O24  1  0.1338  0.3377  0.0933  1
  O  O25  1  0.1552  0.8433  0.5857  1
  O  O26  1  0.2124  0.5540  0.1281  1
  O  O27  1  0.2163  0.0646  0.6108  1
  O  O28  1  0.2317  0.8797  0.7968  1
  O  O29  1  0.2378  0.3613  0.3072  1
  O  O30  1  0.2895  0.9170  0.1699  1
  O  O31  1  0.2936  0.4090  0.6676  1
  O  O32  1  0.4210  0.5952  0.8498  1
  O  O33  1  0.4261  0.1065  0.3544  1
  O  O34  1  0.4653  0.2936  0.5500  1
  O  O35  1  0.4694  0.7992  0.0574  1
  O  O36  1  0.5251  0.6939  0.4563  1
  O  O37  1  0.5347  0.2056  0.9623  1
  O  O38  1  0.5715  0.3985  0.1352  1
  O  O39  1  0.5853  0.9126  0.6343  1
  O  O40  1  0.6948  0.1099  0.8255  1
  O  O41  1  0.7056  0.5968  0.3254  1
  O  O42  1  0.7762  0.1387  0.1918  1
  O  O43  1  0.7792  0.9446  0.3673  1
  O  O44  1  0.7804  0.4335  0.8851  1
  O  O45  1  0.7943  0.6180  0.6999  1
  O  O46  1  0.8536  0.6507  0.9155  1
  O  O47  1  0.8722  0.1558  0.4093  1
  O  O48  1  0.9495  0.6842  0.4419  1
  O  O49  1  0.9539  0.1867  0.9451  1
]