data_[Na1Ti1As2O7]
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
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.8425]
_cell_length_b [5.4733]
_cell_length_c [5.5979]
_cell_angle_alpha [100.6229]
_cell_angle_beta [99.9336]
_cell_angle_gamma [94.2633]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaTiAs2O7]
_chemical_formula_sum '[Na1 Ti1 As2 O7]'
_cell_volume [142.7739]
_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  1  0.5498  0.2249  0.7534  1
  Ti  Ti1  1  0.4956  0.6206  0.3606  1
  As  As2  1  0.0805  0.7574  0.8087  1
  As  As3  1  0.9298  0.1622  0.2702  1
  O  O4  1  0.2436  0.3564  0.4406  1
  O  O5  1  0.2457  0.6333  0.0485  1
  O  O6  1  0.3003  0.8390  0.6208  1
  O  O7  1  0.6959  0.3766  0.1792  1
  O  O8  1  0.7010  0.9429  0.3846  1
  O  O9  1  0.7779  0.5691  0.6654  1
  O  O10  1  0.9800  0.0508  0.9347  1
]