data_[Ti12Co2Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.0414]
_cell_length_b [11.7636]
_cell_length_c [5.7836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ti6CoNi2]
_chemical_formula_sum '[Ti12 Co2 Ni4]'
_cell_volume [274.9580]
_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  0.0000  0.1261  0.8557  1.0
  Ti  Ti1  4  0.5000  0.1938  0.2119  1.0
  Ti  Ti2  2  0.0000  0.0000  0.2784  1.0
  Ti  Ti3  2  0.5000  0.0000  0.6054  1.0
  Co  Co4  2  0.5000  0.0000  0.0392  1.0
  Ni  Ni5  4  0.0000  0.1791  0.4708  1.0
]