data_[Na4Zn4In8Se16]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [8.6991]
_cell_length_b [9.7116]
_cell_length_c [11.1252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [NaZn(InSe2)2]
_chemical_formula_sum '[Na4 Zn4 In8 Se16]'
_cell_volume [939.8889]
_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  0.0000  0.0000  0.9822  1.0
  Zn  Zn1  4  0.0000  0.0000  0.5006  1.0
  In  In2  8  0.2500  0.2500  0.2399  1.0
  Se  Se3  8  0.0000  0.2230  0.3867  1.0
  Se  Se4  8  0.2317  0.0000  0.6318  1.0
]