data_[Na4In2Sn2Se8]
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
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [6.7031]
_cell_length_b [6.7031]
_cell_length_c [11.8853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Na2InSnSe4]
_chemical_formula_sum '[Na4 In2 Sn2 Se8]'
_cell_volume [534.0256]
_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  2  0.0000  0.0000  0.0000  1.0
  Na  Na1  2  0.0000  0.5000  0.2500  1.0
  In  In2  2  0.0000  0.5000  0.7500  1.0
  Sn  Sn3  2  0.0000  0.0000  0.5000  1.0
  Se  Se4  8  0.2204  0.2572  0.6271  1.0
]