data_[Ni2As2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6520]
_cell_length_b [5.2144]
_cell_length_c [5.2173]
_cell_angle_alpha [102.2396]
_cell_angle_beta [95.5683]
_cell_angle_gamma [103.7855]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NiAsO3]
_chemical_formula_sum '[Ni2 As2 O6]'
_cell_volume [118.6569]
_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
[
  Ni  Ni0  1  0.0784  0.6751  0.2427  1
  Ni  Ni1  1  0.9858  0.3501  0.6835  1
  As  As2  1  0.3857  0.2336  0.2605  1
  As  As3  1  0.6277  0.8438  0.7868  1
  O  O4  1  0.1567  0.0726  0.4559  1
  O  O5  1  0.1873  0.3466  0.0379  1
  O  O6  1  0.3104  0.6084  0.5660  1
  O  O7  1  0.4301  0.9133  0.0844  1
  O  O8  1  0.7499  0.4117  0.3740  1
  O  O9  1  0.8014  0.6195  0.9079  1
]