data_[Li2Al2In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.0272]
_cell_length_b [6.1091]
_cell_length_c [5.3464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.4414]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [LiAlIn2]
_chemical_formula_sum '[Li2 Al2 In4]'
_cell_volume [169.7217]
_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
[
  Li  Li0  2  0.0000  0.4999  0.0000  1.0
  Al  Al1  2  0.0000  0.2543  0.5000  1.0
  In  In2  2  0.0000  0.0034  0.0000  1.0
  In  In3  2  0.0000  0.7423  0.5000  1.0
]