data_[Ti14In10]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1355]
_cell_length_b [4.0012]
_cell_length_c [9.8951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1030]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti7In5]
_chemical_formula_sum '[Ti14 In10]'
_cell_volume [462.9537]
_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  0.0762  0.5000  0.2391  1.0
  Ti  Ti1  4  0.0829  0.0000  0.7473  1.0
  Ti  Ti2  4  0.1622  0.5000  0.9862  1.0
  Ti  Ti3  2  0.0000  0.5000  0.5000  1.0
  In  In4  4  0.1570  0.0000  0.4879  1.0
  In  In5  4  0.2496  0.0000  0.2349  1.0
  In  In6  2  0.0000  0.0000  0.0000  1.0
]