data_[Ti8In2Sn2]
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 [P2_1/m]
_cell_length_a [4.9821]
_cell_length_b [5.6434]
_cell_length_c [8.2335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3875]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ti4InSn]
_chemical_formula_sum '[Ti8 In2 Sn2]'
_cell_volume [229.5694]
_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  0.2006  0.0159  0.7806  1
  Ti  Ti1  2  0.2584  0.7500  0.0630  1
  Ti  Ti2  2  0.3235  0.7500  0.3710  1
  In  In3  2  0.2858  0.2500  0.1245  1
  Sn  Sn4  2  0.1545  0.2500  0.4646  1
]