data_[Na4Li4In12]
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 [Pnma]
_cell_length_a [9.7142]
_cell_length_b [4.0718]
_cell_length_c [12.7126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NaLiIn3]
_chemical_formula_sum '[Na4 Li4 In12]'
_cell_volume [502.8403]
_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  0.1636  0.2500  0.9999  1.0
  Li  Li1  4  0.1463  0.2500  0.6289  1.0
  In  In2  4  0.0576  0.2500  0.4144  1.0
  In  In3  4  0.0797  0.7500  0.2092  1.0
  In  In4  4  0.1698  0.7500  0.7879  1.0
]