data_[Li4Al2In4]
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/m]
_cell_length_a [9.6400]
_cell_length_b [4.2682]
_cell_length_c [6.7295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.1329]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2AlIn2]
_chemical_formula_sum '[Li4 Al2 In4]'
_cell_volume [198.7295]
_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  4  0.2094  0.0000  0.8124  1
  Al  Al1  2  0.0000  0.0000  0.0000  1
  In  In2  4  0.0895  0.5000  0.3834  1
]