data_[Ni2W2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [4.6742]
_cell_length_b [5.7394]
_cell_length_c [5.0270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5891]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [NiWO4]
_chemical_formula_sum '[Ni2 W2 O8]'
_cell_volume [134.8549]
_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  2  0.5000  0.3445  0.7500  1.0
  W  W1  2  0.0000  0.1740  0.2500  1.0
  O  O2  4  0.2194  0.1093  0.9302  1.0
  O  O3  4  0.2591  0.3770  0.4029  1.0
]