data_[Si4Ni12W8]
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 [Amm2]
_cell_length_a [7.6099]
_cell_length_b [4.7793]
_cell_length_c [8.1653]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [SiNi3W2]
_chemical_formula_sum '[Si4 Ni12 W8]'
_cell_volume [296.9698]
_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
[
  Si  Si0  4  0.0000  0.2465  0.5807  1.0
  Ni  Ni1  4  0.2404  0.0000  0.0069  1.0
  Ni  Ni2  4  0.5000  0.2465  0.4165  1.0
  Ni  Ni3  2  0.0000  0.0000  0.8166  1.0
  Ni  Ni4  2  0.5000  0.0000  0.1707  1.0
  W  W5  4  0.1911  0.0000  0.3362  1.0
  W  W6  4  0.3172  0.0000  0.6662  1.0
]