data_[Li1Nb1As2O7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nb  1.6000  1.4500  0.8200
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1718]
_cell_length_b [5.2994]
_cell_length_c [6.1827]
_cell_angle_alpha [109.3462]
_cell_angle_beta [100.3904]
_cell_angle_gamma [98.8797]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiNbAs2O7]
_chemical_formula_sum '[Li1 Nb1 As2 O7]'
_cell_volume [153.0195]
_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  0.7428  0.3795  0.1986  1.0
  Nb  Nb1  1  0.3620  0.5245  0.6176  1.0
  As  As2  1  0.2090  0.9202  0.1635  1.0
  As  As3  1  0.8502  0.1187  0.7528  1.0
  O  O4  1  0.0687  0.5630  0.4471  1.0
  O  O5  1  0.1305  0.1849  0.6526  1.0
  O  O6  1  0.3723  0.7876  0.9330  1.0
  O  O7  1  0.4541  0.2399  0.3331  1.0
  O  O8  1  0.6331  0.8133  0.5605  1.0
  O  O9  1  0.6991  0.3877  0.8414  1.0
  O  O10  1  0.9540  0.0809  0.0242  1.0
]