data_[Ti4W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [2.7842]
_cell_length_b [4.5001]
_cell_length_c [8.0023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7698]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ti2W]
_chemical_formula_sum '[Ti4 W2]'
_cell_volume [99.9153]
_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
[
  Ti  Ti0  2  0.0759  0.7500  0.2416  1
  Ti  Ti1  2  0.3003  0.7500  0.5954  1
  W  W2  2  0.3644  0.2500  0.0783  1
]