data_[Ti12V2Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  V  1.6300  1.3500  0.7775
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.5534]
_cell_length_b [9.4522]
_cell_length_c [5.7774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.5796]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti6VNi]
_chemical_formula_sum '[Ti12 V2 Ni2]'
_cell_volume [266.3179]
_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  8  0.2315  0.2869  0.7575  1
  Ti  Ti1  4  0.2352  0.5000  0.2574  1
  V  V2  2  0.0000  0.0000  0.0000  1
  Ni  Ni3  2  0.0000  0.5000  0.5000  1
]