data_[Li2Al2W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [2.7213]
_cell_length_b [5.3696]
_cell_length_c [6.6992]
_cell_angle_alpha [100.1944]
_cell_angle_beta [94.1103]
_cell_angle_gamma [103.3725]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiAlW]
_chemical_formula_sum '[Li2 Al2 W2]'
_cell_volume [93.0837]
_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
[
  Li  Li0  2  0.2415  0.6020  0.3518  1
  Al  Al1  2  0.0488  0.0556  0.3082  1
  W  W2  2  0.4512  0.7331  0.9841  1
]