data_[Ti4Cu2Ni16]
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 [C2/m]
_cell_length_a [12.9018]
_cell_length_b [3.6141]
_cell_length_c [5.7952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6947]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti2CuNi8]
_chemical_formula_sum '[Ti4 Cu2 Ni16]'
_cell_volume [258.8304]
_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  0.2222  0.0000  0.6640  1
  Cu  Cu1  2  0.0000  0.5000  0.0000  1
  Ni  Ni2  4  0.0406  0.0000  0.7232  1
  Ni  Ni3  4  0.0906  0.5000  0.4506  1
  Ni  Ni4  4  0.1394  0.0000  0.1844  1
  Ni  Ni5  4  0.1759  0.5000  0.9033  1
]