data_[Li1Ti1As2O7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [4.9658]
_cell_length_b [5.2860]
_cell_length_c [5.3926]
_cell_angle_alpha [101.7589]
_cell_angle_beta [99.3131]
_cell_angle_gamma [98.2842]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiTiAs2O7]
_chemical_formula_sum '[Li1 Ti1 As2 O7]'
_cell_volume [134.4396]
_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
[
  Li  Li0  1  0.5817  0.2031  0.7269  1
  Ti  Ti1  1  0.4938  0.6149  0.3585  1
  As  As2  1  0.0829  0.7610  0.8211  1
  As  As3  1  0.9045  0.2023  0.2710  1
  O  O4  1  0.2094  0.6486  0.0845  1
  O  O5  1  0.2574  0.3306  0.4445  1
  O  O6  1  0.3363  0.8511  0.6607  1
  O  O7  1  0.6474  0.3799  0.1270  1
  O  O8  1  0.7398  0.9583  0.4048  1
  O  O9  1  0.7985  0.5316  0.6364  1
  O  O10  1  0.9483  0.0428  0.9404  1
]