data_[Li4Ti4In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ti  1.5400  1.4000  0.8517
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.9432]
_cell_length_b [3.0837]
_cell_length_c [14.7218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [LiTiIn]
_chemical_formula_sum '[Li4 Ti4 In4]'
_cell_volume [224.4070]
_cell_formula_units_Z [4]
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
[
  Li  Li0  2  0.0000  0.0000  0.2963  1.0
  Li  Li1  2  0.0000  0.0000  0.6295  1.0
  Ti  Ti2  2  0.5000  0.0000  0.4925  1.0
  Ti  Ti3  2  0.5000  0.0000  0.8390  1.0
  In  In4  2  0.0000  0.0000  0.9552  1.0
  In  In5  2  0.5000  0.0000  0.1694  1.0
]