data_[Li1Si1W2]
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 [Pm]
_cell_length_a [2.7171]
_cell_length_b [4.2329]
_cell_length_c [5.0243]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3780]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LiSiW2]
_chemical_formula_sum '[Li1 Si1 W2]'
_cell_volume [56.8400]
_cell_formula_units_Z [1]
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  1  0.3806  0.0000  0.4961  1
  Si  Si1  1  0.3919  0.5000  0.7444  1
  W  W2  1  0.7605  0.5000  0.2699  1
  W  W3  1  0.9670  0.0000  0.9896  1
]