data_[Na2Li2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.3134]
_cell_length_b [7.3181]
_cell_length_c [6.5875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1383]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaLiSe3]
_chemical_formula_sum '[Na2 Li2 Se6]'
_cell_volume [256.1448]
_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  0.1443  0.2500  0.0983  1
  Li  Li1  2  0.4101  0.7500  0.4626  1
  Se  Se2  4  0.2837  0.5010  0.7520  1
  Se  Se3  2  0.0922  0.2500  0.5673  1
]