data_[Na6In26]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [9.4008]
_cell_length_b [9.5552]
_cell_length_c [9.6929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Na3In13]
_chemical_formula_sum '[Na6 In26]'
_cell_volume [870.6777]
_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
[
  Na  Na0  4  0.2551  0.0000  0.9980  1.0
  Na  Na1  2  0.0000  0.0000  0.2516  1.0
  In  In2  8  0.2531  0.2448  0.7503  1.0
  In  In3  4  0.0000  0.2448  0.4992  1.0
  In  In4  4  0.2436  0.0000  0.5009  1.0
  In  In5  4  0.5000  0.2429  0.4986  1.0
  In  In6  2  0.0000  0.0000  0.7506  1.0
  In  In7  2  0.5000  0.0000  0.2568  1.0
  In  In8  2  0.5000  0.0000  0.7465  1.0
]