data_[Ti14Ga8W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ga  1.8100  1.3000  0.7600
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1997]
_cell_length_b [4.8319]
_cell_length_c [9.2048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.5806]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti7Ga4W]
_chemical_formula_sum '[Ti14 Ga8 W2]'
_cell_volume [419.7327]
_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  4  0.0656  0.0000  0.3297  1
  Ti  Ti1  4  0.1591  0.5000  0.5748  1
  Ti  Ti2  4  0.2072  0.0000  0.8987  1
  Ti  Ti3  2  0.0000  0.5000  0.0000  1
  Ga  Ga4  4  0.0634  0.5000  0.7663  1
  Ga  Ga5  4  0.2137  0.5000  0.3281  1
  W  W6  2  0.0000  0.0000  0.0000  1
]