data_[Na3Ti1Fe3O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.2505]
_cell_length_b [6.0503]
_cell_length_c [5.8124]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9339]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na3TiFe3O8]
_chemical_formula_sum '[Na3 Ti1 Fe3 O8]'
_cell_volume [175.6720]
_cell_formula_units_Z [1]
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  2  0.0000  0.2402  0.0000  1.0
  Na  Na1  1  0.5000  0.5000  0.0000  1.0
  Ti  Ti2  1  0.0000  0.0000  0.5000  1.0
  Fe  Fe3  2  0.5000  0.2504  0.5000  1.0
  Fe  Fe4  1  0.0000  0.5000  0.5000  1.0
  O  O5  4  0.2254  0.2464  0.6919  1.0
  O  O6  2  0.2552  0.0000  0.3125  1.0
  O  O7  2  0.2690  0.5000  0.2983  1.0
]