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 [Pc]
_cell_length_a [5.1699]
_cell_length_b [5.6038]
_cell_length_c [5.7156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6253]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [NbAsO4]
_chemical_formula_sum '[Nb2 As2 O8]'
_cell_volume [162.7496]
_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  0.5049  0.3332  0.5102  1.0
  As  As1  2  0.0562  0.1876  0.9261  1.0
  O  O2  2  0.2587  0.0794  0.3960  1.0
  O  O3  2  0.2622  0.3884  0.7882  1.0
  O  O4  2  0.6532  0.3980  0.2322  1.0
  O  O5  2  0.7930  0.1365  0.6621  1.0
]