data_[Ti4Al10V2Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Al  1.6100  1.2500  0.6750
  V  1.6300  1.3500  0.7775
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.6446]
_cell_length_b [8.6446]
_cell_length_c [3.8571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ti2Al5VNi2]
_chemical_formula_sum '[Ti4 Al10 V2 Ni4]'
_cell_volume [288.2364]
_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  0.1771  0.6771  0.0000  1.0
  Al  Al1  8  0.0673  0.2066  0.5000  1.0
  Al  Al2  2  0.0000  0.5000  0.5000  1.0
  V  V3  2  0.0000  0.0000  0.0000  1.0
  Ni  Ni4  4  0.1197  0.3803  0.0000  1.0
]