data_[Na2Li2Te2Se6]
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
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5400]
_cell_length_b [4.1055]
_cell_length_c [10.6459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9444]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaLiTeSe3]
_chemical_formula_sum '[Na2 Li2 Te2 Se6]'
_cell_volume [318.4064]
_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  0.3593  0.2500  0.3251  1.0
  Li  Li1  2  0.3847  0.7500  0.9229  1.0
  Te  Te2  2  0.1421  0.2500  0.6729  1.0
  Se  Se3  2  0.0393  0.7500  0.8192  1.0
  Se  Se4  2  0.2337  0.7500  0.5069  1.0
  Se  Se5  2  0.4940  0.2500  0.8220  1.0
]