data_[Ta2Ti2]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [2.8844]
_cell_length_b [4.5530]
_cell_length_c [5.4847]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2129]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TaTi]
_chemical_formula_sum '[Ta2 Ti2]'
_cell_volume [71.1000]
_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  2  0.0865  0.2500  0.8620  1.0
  Ti  Ti1  2  0.4395  0.7500  0.6428  1.0
]