data_[Na12Li4In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [8.9296]
_cell_length_b [6.4552]
_cell_length_c [10.5717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5083]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Na3LiIn]
_chemical_formula_sum '[Na12 Li4 In4]'
_cell_volume [587.1934]
_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
[
  Na  Na0  4  0.1288  0.0278  0.4177  1.0
  Na  Na1  4  0.2957  0.2289  0.2010  1.0
  Na  Na2  4  0.4976  0.2696  0.5911  1.0
  Li  Li3  4  0.1331  0.4881  0.9363  1.0
  In  In4  4  0.1595  0.2979  0.6941  1.0
]