data_[Na2In2Sn2Se6]
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 [P2_1/m]
_cell_length_a [8.6324]
_cell_length_b [4.2186]
_cell_length_c [11.2054]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6939]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaInSnSe3]
_chemical_formula_sum '[Na2 In2 Sn2 Se6]'
_cell_volume [406.0431]
_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  0.1322  0.7500  0.1215  1
  In  In1  2  0.0862  0.7500  0.6183  1
  Sn  Sn2  2  0.3907  0.2500  0.8605  1
  Se  Se3  2  0.1082  0.7500  0.8444  1
  Se  Se4  2  0.2008  0.2500  0.5059  1
  Se  Se5  2  0.3708  0.2500  0.1003  1
]