data_[Na8Zn12In16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.1446]
_cell_length_b [16.0219]
_cell_length_c [8.8047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Na2Zn3In4]
_chemical_formula_sum '[Na8 Zn12 In16]'
_cell_volume [866.8057]
_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  8  0.0000  0.1032  0.6001  1.0
  Zn  Zn1  8  0.2500  0.2382  0.2500  1.0
  Zn  Zn2  4  0.0000  0.0000  0.0000  1.0
  In  In3  8  0.0000  0.1832  0.9874  1.0
  In  In4  8  0.2500  0.0646  0.2500  1.0
]