data_[Ti4Ni16Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1669]
_cell_length_b [3.6913]
_cell_length_c [5.9021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4119]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti2Ni8Sn]
_chemical_formula_sum '[Ti4 Ni16 Sn2]'
_cell_volume [275.1702]
_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  0.2219  0.0000  0.6619  1
  Ni  Ni1  4  0.0430  0.0000  0.7148  1
  Ni  Ni2  4  0.0923  0.5000  0.4622  1
  Ni  Ni3  4  0.1459  0.0000  0.1969  1
  Ni  Ni4  4  0.1819  0.5000  0.9065  1
  Sn  Sn5  2  0.0000  0.5000  0.0000  1
]