data_[Nb2As2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P-1]
_cell_length_a [5.2045]
_cell_length_b [5.2105]
_cell_length_c [7.2502]
_cell_angle_alpha [103.1144]
_cell_angle_beta [100.1411]
_cell_angle_gamma [102.1292]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NbAsO4]
_chemical_formula_sum '[Nb2 As2 O8]'
_cell_volume [181.9676]
_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
[
  Nb  Nb0  2  0.3395  0.2043  0.0612  1.0
  As  As1  2  0.0200  0.6959  0.3040  1.0
  O  O2  2  0.0662  0.8942  0.1251  1.0
  O  O3  2  0.2181  0.4628  0.2557  1.0
  O  O4  2  0.3052  0.4773  0.8752  1.0
  O  O5  2  0.4056  0.9670  0.8208  1.0
]