data_[Ti6In1Sn1]
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 [P-6m2]
_cell_length_a [5.9116]
_cell_length_b [5.9116]
_cell_length_c [4.7806]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Ti6InSn]
_chemical_formula_sum '[Ti6 In1 Sn1]'
_cell_volume [144.6831]
_cell_formula_units_Z [1]
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  3  0.3391  0.1696  0.5000  1.0
  Ti  Ti1  3  0.5018  0.0037  0.0000  1.0
  In  In2  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn3  1  0.3333  0.6667  0.5000  1.0
]