data_[Na4Ti4P8O28]
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
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.6113]
_cell_length_b [5.2039]
_cell_length_c [13.2085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.1927]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaTiP2O7]
_chemical_formula_sum '[Na4 Ti4 P8 O28]'
_cell_volume [531.1274]
_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  0.4483  0.2266  0.8106  1
  Ti  Ti1  4  0.2658  0.2359  0.0329  1
  P  P2  4  0.1653  0.7447  0.6470  1
  P  P3  4  0.3116  0.7185  0.8850  1
  O  O4  4  0.0177  0.2395  0.4453  1
  O  O5  4  0.1510  0.7141  0.2645  1
  O  O6  4  0.2504  0.0194  0.1589  1
  O  O7  4  0.2807  0.5411  0.1385  1
  O  O8  4  0.2923  0.6066  0.4698  1
  O  O9  4  0.3061  0.0671  0.4101  1
  O  O10  4  0.4732  0.7215  0.3671  1
]