data_[Li4Si8W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Si  1.9000  1.1000  0.5400
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [5.1822]
_cell_length_b [5.0597]
_cell_length_c [9.2433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3639]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [LiSi2W]
_chemical_formula_sum '[Li4 Si8 W4]'
_cell_volume [234.7880]
_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
[
  Li  Li0  4  0.3543  0.4030  0.3636  1
  Si  Si1  4  0.1394  0.3582  0.0881  1
  Si  Si2  4  0.3180  0.1037  0.9090  1
  W  W3  4  0.2096  0.1452  0.6282  1
]