data_[Na16Te4Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1878]
_cell_length_b [4.8292]
_cell_length_c [8.4808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6664]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na8Te2Se]
_chemical_formula_sum '[Na16 Te4 Se2]'
_cell_volume [703.8896]
_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  4  0.0085  0.0000  0.1934  1
  Na  Na1  4  0.0880  0.5000  0.3942  1
  Na  Na2  4  0.1651  0.5000  0.0084  1
  Na  Na3  4  0.1948  0.0000  0.6251  1
  Te  Te4  4  0.2051  0.0000  0.2530  1
  Se  Se5  2  0.0000  0.5000  0.0000  1
]