data_[Ta4Ti4Al14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ti  1.5400  1.4000  0.8517
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4366]
_cell_length_b [8.8867]
_cell_length_c [4.7139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2189]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta2Ti2Al7]
_chemical_formula_sum '[Ta4 Ti4 Al14]'
_cell_volume [375.4940]
_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
[
  Ta  Ta0  4  0.0000  0.1991  0.5000  1
  Ti  Ti1  4  0.2428  0.0000  0.6733  1
  Al  Al2  8  0.2058  0.1981  0.1994  1
  Al  Al3  4  0.0603  0.5000  0.7745  1
  Al  Al4  2  0.0000  0.0000  0.0000  1
]