data_[Na6Ti9Fe3P18O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ti  1.5400  1.4000  0.8517
  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 [R3]
_cell_length_a [8.5197]
_cell_length_b [8.5197]
_cell_length_c [22.3634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Na2Ti3Fe(PO4)6]
_chemical_formula_sum '[Na6 Ti9 Fe3 P18 O72]'
_cell_volume [1405.7753]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.5028  1
  Na  Na1  3  0.0000  0.0000  0.9998  1
  Ti  Ti2  3  0.0000  0.0000  0.1455  1
  Ti  Ti3  3  0.0000  0.0000  0.3532  1
  Ti  Ti4  3  0.0000  0.0000  0.8550  1
  Fe  Fe5  3  0.0000  0.0000  0.6471  1
  P  P6  9  0.0005  0.7138  0.2501  1
  P  P7  9  0.0036  0.2874  0.7496  1
  O  O8  9  0.0032  0.8159  0.1926  1
  O  O9  9  0.0097  0.1856  0.0908  1
  O  O10  9  0.0577  0.2087  0.4071  1
  O  O11  9  0.0638  0.2184  0.6962  1
  O  O12  9  0.1498  0.4757  0.4743  1
  O  O13  9  0.1535  0.6718  0.5775  1
  O  O14  9  0.1764  0.7153  0.9710  1
  O  O15  9  0.1896  0.7348  0.2564  1
]