data_[Nb1As1O4]
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 [P1]
_cell_length_a [4.0576]
_cell_length_b [4.2807]
_cell_length_c [5.6580]
_cell_angle_alpha [80.1399]
_cell_angle_beta [70.1541]
_cell_angle_gamma [88.5453]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NbAsO4]
_chemical_formula_sum '[Nb1 As1 O4]'
_cell_volume [91.0153]
_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
[
  Nb  Nb0  1  0.9971  0.0725  0.9966  1.0
  As  As1  1  0.2508  0.7567  0.4375  1.0
  O  O2  1  0.0056  0.4969  0.9753  1.0
  O  O3  1  0.1851  0.0640  0.6340  1.0
  O  O4  1  0.4648  0.9971  0.0885  1.0
  O  O5  1  0.8466  0.8628  0.3681  1.0
]