data_[Na2La2In2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  La  1.1000  1.9500  1.1720
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0478]
_cell_length_b [4.2034]
_cell_length_c [10.3824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6595]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaLaInSe3]
_chemical_formula_sum '[Na2 La2 In2 Se6]'
_cell_volume [334.6673]
_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  0.3472  0.2500  0.9040  1
  La  La1  2  0.1977  0.7500  0.2137  1
  In  In2  2  0.1769  0.7500  0.6295  1
  Se  Se3  2  0.0865  0.7500  0.8912  1
  Se  Se4  2  0.2154  0.2500  0.4548  1
  Se  Se5  2  0.4592  0.2500  0.1961  1
]