data_[Ti1Nb1Al1W1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Nb  1.6000  1.4500  0.8200
  Al  1.6100  1.2500  0.6750
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.2928]
_cell_length_b [3.2928]
_cell_length_c [6.1516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [TiNbAlW]
_chemical_formula_sum '[Ti1 Nb1 Al1 W1]'
_cell_volume [66.6978]
_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
[
  Ti  Ti0  1  0.5000  0.5000  0.1157  1.0
  Nb  Nb1  1  0.5000  0.5000  0.5984  1.0
  Al  Al2  1  0.0000  0.0000  0.8616  1.0
  W  W3  1  0.0000  0.0000  0.3523  1.0
]