data_[Na24Fe16P16O64F24]
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
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [12.9382]
_cell_length_b [12.9554]
_cell_length_c [10.7558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Na3Fe2P2O8F3]
_chemical_formula_sum '[Na24 Fe16 P16 O64 F24]'
_cell_volume [1802.8819]
_cell_formula_units_Z [8]
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  4  0.0960  0.3727  0.5000  1
  Na  Na1  4  0.1173  0.8485  0.5000  1
  Na  Na2  4  0.1216  0.4112  0.0000  1
  Na  Na3  4  0.1281  0.1332  0.5000  1
  Na  Na4  4  0.1294  0.8811  0.0000  1
  Na  Na5  4  0.1628  0.1242  0.0000  1
  Fe  Fe6  8  0.0007  0.2516  0.1888  1
  Fe  Fe7  8  0.2483  0.4969  0.3102  1
  P  P8  8  0.2488  0.2516  0.2495  1
  P  P9  4  0.0000  0.0000  0.2494  1
  P  P10  4  0.0000  0.5000  0.2490  1
  O  O11  8  0.0056  0.5956  0.1632  1
  O  O12  8  0.0106  0.0950  0.1624  1
  O  O13  8  0.0952  0.9897  0.3369  1
  O  O14  8  0.0959  0.4936  0.3344  1
  O  O15  8  0.1520  0.7597  0.1704  1
  O  O16  8  0.1565  0.2592  0.1575  1
  O  O17  8  0.2440  0.1496  0.3236  1
  O  O18  8  0.2448  0.3406  0.3464  1
  F  F19  8  0.0111  0.2427  0.3692  1
  F  F20  8  0.2434  0.9875  0.1297  1
  F  F21  4  0.0015  0.2471  0.0000  1
  F  F22  4  0.2474  0.9995  0.5000  1
]