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 [C2/m]
_cell_length_a [9.8927]
_cell_length_b [3.0870]
_cell_length_c [7.5481]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7349]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiTiIn]
_chemical_formula_sum '[Li4 Ti4 In4]'
_cell_volume [216.9723]
_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  4  0.1810  0.5000  0.5982  1
  Ti  Ti1  4  0.1557  0.5000  0.0537  1
  In  In2  4  0.0087  0.0000  0.2827  1
]