data_[Ni4As4O16]
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 [Pnma]
_cell_length_a [10.2249]
_cell_length_b [5.8134]
_cell_length_c [4.9418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NiAsO4]
_chemical_formula_sum '[Ni4 As4 O16]'
_cell_volume [293.7501]
_cell_formula_units_Z [4]
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  4  0.2313  0.7500  0.4602  1
  As  As1  4  0.0927  0.2500  0.4212  1
  O  O2  8  0.1739  0.0287  0.2502  1
  O  O3  4  0.0697  0.7500  0.6661  1
  O  O4  4  0.1047  0.2500  0.7662  1
]