data_[Si6Ni4W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.4664]
_cell_length_b [8.6778]
_cell_length_c [5.2203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Si3Ni2W]
_chemical_formula_sum '[Si6 Ni4 W2]'
_cell_volume [157.0287]
_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
[
  Si  Si0  2  0.0000  0.3914  0.6608  1.0
  Si  Si1  2  0.5000  0.0888  0.8488  1.0
  Si  Si2  2  0.5000  0.2855  0.3067  1.0
  Ni  Ni3  2  0.0000  0.2267  0.0053  1.0
  Ni  Ni4  2  0.5000  0.4608  0.9771  1.0
  W  W5  2  0.0000  0.1031  0.5001  1.0
]