data_[Na2Ti6Fe2O16]
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 [Cm]
_cell_length_a [12.4030]
_cell_length_b [3.8456]
_cell_length_c [6.5708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3251]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NaTi3FeO8]
_chemical_formula_sum '[Na2 Ti6 Fe2 O16]'
_cell_volume [299.1826]
_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  2  0.0049  0.0000  0.0282  1.0
  Ti  Ti1  2  0.1015  0.5000  0.7086  1.0
  Ti  Ti2  2  0.2982  0.0000  0.7060  1.0
  Ti  Ti3  2  0.3979  0.0000  0.2984  1.0
  Fe  Fe4  2  0.2021  0.5000  0.2951  1.0
  O  O5  2  0.0536  0.5000  0.3602  1.0
  O  O6  2  0.1229  0.5000  0.9926  1.0
  O  O7  2  0.1369  0.0000  0.7027  1.0
  O  O8  2  0.2393  0.0000  0.3518  1.0
  O  O9  2  0.2644  0.5000  0.6567  1.0
  O  O10  2  0.3668  0.5000  0.2821  1.0
  O  O11  2  0.3705  0.0000  0.9876  1.0
  O  O12  2  0.4410  0.0000  0.6300  1.0
]