data_[Ti10Cu8Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [6.6630]
_cell_length_b [15.7509]
_cell_length_c [2.9473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Ti5(Cu2Ni)2]
_chemical_formula_sum '[Ti10 Cu8 Ni4]'
_cell_volume [309.3103]
_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  0.1268  0.9266  0.0000  1
  Ti  Ti1  4  0.2450  0.7151  0.0000  1
  Ti  Ti2  2  0.0000  0.5000  0.0000  1
  Cu  Cu3  4  0.0741  0.3489  0.5000  1
  Cu  Cu4  4  0.2155  0.0727  0.5000  1
  Ni  Ni5  4  0.0427  0.8071  0.5000  1
]