data_[Ni4W8]
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 [Cm]
_cell_length_a [10.2305]
_cell_length_b [2.6720]
_cell_length_c [6.6265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6350]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NiW2]
_chemical_formula_sum '[Ni4 W8]'
_cell_volume [176.0352]
_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  2  0.1682  0.5000  0.3314  1
  Ni  Ni1  2  0.4968  0.5000  0.0003  1
  W  W2  2  0.0623  0.0000  0.6109  1
  W  W3  2  0.2133  0.5000  0.9593  1
  W  W4  2  0.3302  0.0000  0.6594  1
  W  W5  2  0.3958  0.0000  0.2721  1
]