data_[Ti4Nb12Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Nb  1.6000  1.4500  0.8200
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8067]
_cell_length_b [4.7160]
_cell_length_c [5.5390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5621]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti2Nb6Sn]
_chemical_formula_sum '[Ti4 Nb12 Sn2]'
_cell_volume [330.5890]
_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  0.1204  0.0000  0.5710  1
  Nb  Nb1  4  0.0547  0.5000  0.7597  1
  Nb  Nb2  4  0.1624  0.5000  0.3269  1
  Nb  Nb3  4  0.2302  0.0000  0.1287  1
  Sn  Sn4  2  0.0000  0.0000  0.0000  1
]