data_[Ti14In4Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.3935]
_cell_length_b [9.9057]
_cell_length_c [6.5724]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ti7(InSn)2]
_chemical_formula_sum '[Ti14 In4 Sn4]'
_cell_volume [481.3487]
_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  8  0.2500  0.2500  0.3020  1
  Ti  Ti1  4  0.0000  0.5000  0.2790  1
  Ti  Ti2  2  0.0000  0.0000  0.0000  1
  In  In3  4  0.1799  0.0000  0.5000  1
  Sn  Sn4  4  0.0000  0.2912  0.0000  1
]