data_[Ni16W8]
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
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [3.7047]
_cell_length_b [3.7047]
_cell_length_c [22.0483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [Ni2W]
_chemical_formula_sum '[Ni16 W8]'
_cell_volume [302.6015]
_cell_formula_units_Z [8]
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  8  0.0000  0.0000  0.2502  1
  Ni  Ni1  8  0.0000  0.0000  0.4176  1
  W  W2  8  0.0000  0.0000  0.0829  1
]