data_[Na2Ti2P4O14]
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 [C2]
_cell_length_a [6.7305]
_cell_length_b [8.4983]
_cell_length_c [4.6020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3404]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [NaTiP2O7]
_chemical_formula_sum '[Na2 Ti2 P4 O14]'
_cell_volume [258.9450]
_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  0.0000  0.2479  0.5000  1.0
  Ti  Ti1  2  0.0000  0.6296  0.5000  1.0
  P  P2  4  0.2074  0.9623  0.9170  1.0
  O  O3  4  0.1425  0.4525  0.7941  1.0
  O  O4  4  0.1631  0.8053  0.7625  1.0
  O  O5  4  0.2330  0.5906  0.2893  1.0
  O  O6  2  0.0000  0.0340  0.0000  1.0
]