data_[Na8Fe12P12O48]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.0055]
_cell_length_b [12.6724]
_cell_length_c [6.5863]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4610]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na2Fe3(PO4)3]
_chemical_formula_sum '[Na8 Fe12 P12 O48]'
_cell_volume [912.0943]
_cell_formula_units_Z [4]
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  0.0000  0.0154  0.7500  1
  Na  Na1  4  0.0000  0.5000  0.0000  1
  Fe  Fe2  8  0.2210  0.1620  0.1291  1
  Fe  Fe3  4  0.0000  0.2692  0.2500  1
  P  P4  8  0.2352  0.1083  0.6225  1
  P  P5  4  0.0000  0.2883  0.7500  1
  O  O6  8  0.0439  0.2169  0.9632  1
  O  O7  8  0.1003  0.3633  0.7464  1
  O  O8  8  0.1275  0.3987  0.3248  1
  O  O9  8  0.1612  0.1629  0.3911  1
  O  O10  8  0.1746  0.0013  0.1121  1
  O  O11  8  0.2205  0.1755  0.8092  1
]